2I0C

Crystal structure of the GluR6 ligand binding core dimer crosslinked by disulfide bonds between Y490C and L752C at 2.25 Angstroms Resolution


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 1S7Y 

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP5.6293Reservoir: 20% isopropanol, 25% PEG 4k, 0.1 M NaCitrate. Protein: 7-15 mg/ml, 10 mM HEPES, 20 mM NaCl, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystal Properties
Matthews coefficientSolvent content
2.3848.35

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 108.79α = 90
b = 108.79β = 90
c = 47.35γ = 90
Symmetry
Space GroupP 4

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDMARRESEARCH2005-04-19MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 22-ID0.99997APS22-ID

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.254098.90.08910.13.126406264061134.6
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.252.331000.4372.933

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (All)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 17SY2.25402513025130127698.930.175280.175280.171880.24447RANDOM23.671
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
0.620.62-1.25
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.967
r_dihedral_angle_4_deg16.385
r_dihedral_angle_3_deg16.342
r_dihedral_angle_1_deg4.892
r_scangle_it3.607
r_mcangle_it3.18
r_scbond_it2.42
r_mcbond_it2.078
r_angle_refined_deg1.977
r_nbtor_refined0.329
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.967
r_dihedral_angle_4_deg16.385
r_dihedral_angle_3_deg16.342
r_dihedral_angle_1_deg4.892
r_scangle_it3.607
r_mcangle_it3.18
r_scbond_it2.42
r_mcbond_it2.078
r_angle_refined_deg1.977
r_nbtor_refined0.329
r_symmetry_hbond_refined0.319
r_symmetry_vdw_refined0.281
r_nbd_refined0.245
r_xyhbond_nbd_refined0.244
r_chiral_restr0.123
r_bond_refined_d0.023
r_gen_planes_refined0.009
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms4042
Nucleic Acid Atoms
Solvent Atoms204
Heterogen Atoms20

Software

Software
Software NamePurpose
REFMACrefinement
SERGUIdata collection
MAR345data collection
HKL-2000data reduction
HKL-2000data scaling
MOLREPphasing