2F2G | pdb_00002f2g

X-Ray Structure of Gene Product From Arabidopsis Thaliana AT3G16990


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1VAPOR DIFFUSION, HANGING DROP277Protein solution (15 mg/ml protein, 0.025 M sodium chloride, 0.10 M Tris pH 7.5) mixed in a 1:1 ratio with the well solution (0.055 M sodium acetate pH 4.5, 1.05 M ammonium sulfate), temperature 277 K, VAPOR DIFFUSION, HANGING DROP
Crystal Properties
Matthews coefficientSolvent content
2.7855.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 62.7α = 90
b = 62.7β = 90
c = 287.621γ = 90
Symmetry
Space GroupP 41 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray90CCDMARRESEARCHBent cylindrical Si-mirror (Rh coating)2003-06-26MMAD
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONAPS BEAMLINE 14-ID-B0.97912APS14-ID-B

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
12.0843.8184.90.06522.3039.530515
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)
12.082.1544.80.266.3766.1

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodResolution (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 DIFFRACTIONSADTHROUGHOUT2.143.8128535151986.450.173060.169790.17180.233550.2324RANDOM31.599
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]
0.090.09-0.19
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg33.489
r_dihedral_angle_4_deg19.87
r_dihedral_angle_3_deg15.387
r_scangle_it6.667
r_scbond_it4.891
r_dihedral_angle_1_deg4.889
r_mcangle_it2.595
r_mcbond_it1.694
r_angle_refined_deg1.476
r_nbtor_refined0.306
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms3402
Nucleic Acid Atoms
Solvent Atoms427
Heterogen Atoms40

Software

Software
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
SOLVEphasing
RESOLVEphasing
REFMACrefinement
PDB_EXTRACTdata extraction
MAR345data collection