4CW0 | pdb_00004cw0

Crystal structure of cofactor-free urate oxidase anaerobically complexed with 9-methyl uric acid


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1820 MG/ML UOX IN 50 MM TRIS-HCL PH 8.0 SATURATED WITH 9-METHYL URIC ACID 8% PEG 8000, 50 MM TRIS-HCL PH 8.0 CRYSTALS GROWN ANAEROBICALLY
Crystal Properties
Matthews coefficientSolvent content
2.957.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 79.77α = 90
b = 94.99β = 90
c = 104.36γ = 90
Symmetry
Space GroupI 2 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100CCDADSC CCDMIRRORS2013-06-22MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONESRF BEAMLINE BM30AESRFBM30A

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
11.530.5498.50.17.33.662422-1
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)
11.51.5899.40.562.33.5

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 DIFFRACTIONOTHERTHROUGHOUTNONE1.570.2559235317798.140.118170.116070.13390.157380.1711RANDOM15.733
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]
0.61-0.57-0.04
RMS Deviations
KeyRefinement Restraint Deviation
r_sphericity_free38.875
r_sphericity_bonded10.878
r_long_range_B_refined5.811
r_long_range_B_other4.21
r_rigid_bond_restr4.1
r_scangle_other2.872
r_scbond_it2.369
r_scbond_other2.368
r_mcangle_other2.355
r_mcangle_it2.328
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2409
Nucleic Acid Atoms
Solvent Atoms582
Heterogen Atoms21

Software

Software
Software NamePurpose
REFMACrefinement
MOSFLMdata reduction
SCALAdata scaling