2IWF | pdb_00002iwf

Resting form of pink nitrous oxide reductase from Achromobacter Cycloclastes


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
1.9235.87

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 70.292α = 90
b = 118.18β = 90
c = 131.135γ = 90
Symmetry
Space GroupP 21 21 21

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100 MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONSRS BEAMLINE PX10.1SRSPX10.1

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
11.865095.90.137.93.6881912

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-Free (Depositor)R-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONOTHERTHROUGHOUT1.863587784438494.90.2090.2090.271RANDOM20.11
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]
-0.47-0.260.73
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg34.854
r_dihedral_angle_4_deg16.243
r_dihedral_angle_3_deg14.524
r_dihedral_angle_1_deg8.205
r_scangle_it2.391
r_scbond_it1.632
r_angle_refined_deg1.529
r_mcangle_it0.965
r_angle_other_deg0.859
r_mcbond_it0.601
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms9260
Nucleic Acid Atoms
Solvent Atoms765
Heterogen Atoms34

Software

Software
Software NamePurpose
REFMACrefinement