1W5S | pdb_00001w5s

Structure of the Aeropyrum Pernix ORC2 protein (ADP form)


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.4649.58

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 67.495α = 90
b = 101.911β = 90
c = 255.797γ = 90
Symmetry
Space GroupC 2 2 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX14.2SRSPX14.2

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
12.42098.60.0319.21134887

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 Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONOTHERTHROUGHOUT2.4129.132664173598.20.2160.2120.230.286RANDOM37
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]
1.95-1.67-0.28
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.352
r_dihedral_angle_4_deg22.859
r_dihedral_angle_3_deg21.965
r_dihedral_angle_1_deg7.279
r_scangle_it3.195
r_scbond_it2.178
r_angle_refined_deg1.886
r_mcangle_it1.239
r_mcbond_it1.025
r_angle_other_deg1.004
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms6202
Nucleic Acid Atoms
Solvent Atoms114
Heterogen Atoms74

Software

Software
Software NamePurpose
REFMACrefinement