2WTH | pdb_00002wth

Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form


X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
TypeSourceAccession CodeDetails
experimental modelPDB 2WTGPDB ENTRY 2WTG

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
13.0 M AMMONIUM SULPHATE, 10% GLYCEROL
Crystal Properties
Matthews coefficientSolvent content
3.665.3

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 77.681α = 90
b = 77.681β = 90
c = 145.64γ = 120
Symmetry
Space GroupP 31 2 1

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCD2007-01-22MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-3ESRFID14-3

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
12.834.398.40.0623.39127772

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)R-Free (DCC)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUTPDB ENTRY 2WTG2.834.281213962797.830.271390.2690.30.319480.34RANDOM57.848
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]
0.690.350.69-1.04
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg37.808
r_dihedral_angle_3_deg17.442
r_dihedral_angle_4_deg9.2
r_dihedral_angle_1_deg4.649
r_scangle_it1.593
r_mcangle_it1.339
r_scbond_it1.152
r_angle_refined_deg0.996
r_mcbond_it0.736
r_nbtor_refined0.296
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2588
Nucleic Acid Atoms
Solvent Atoms46
Heterogen Atoms141

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling
MOLREPphasing