1W5T | pdb_00001w5t

Structure of the Aeropyrum Pernix ORC2 protein (ADPNP-ADP complexes)


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.1141.57

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 61.489α = 90
b = 61.489β = 90
c = 267.865γ = 120
Symmetry
Space GroupP 31

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE ID14-4ESRFID14-4

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
12.420970.11216.942815

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 DIFFRACTIONOTHERTHROUGHOUT2.42037992199990.70.2150.2110.210.279RANDOM29.42
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]
-0.25-0.12-0.250.37
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_1_deg6.404
r_scangle_it4.108
r_scbond_it2.46
r_angle_refined_deg1.776
r_mcangle_it1.532
r_mcbond_it0.798
r_symmetry_vdw_refined0.256
r_nbd_refined0.232
r_xyhbond_nbd_refined0.183
r_symmetry_hbond_refined0.172
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9331
Nucleic Acid Atoms
Solvent Atoms150
Heterogen Atoms92

Software

Software
Software NamePurpose
REFMACrefinement