6I9Z

urate oxidase under 65 bar of argon


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1BATCH MODE829120 microliter of protein (15 mg/ml) mixed with 20 microliter of solution: Tris 0.05M (chloride free) + 4% PEG 4000.
Crystal Properties
Matthews coefficientSolvent content
2.957.5

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 80.323α = 90
b = 96.121β = 90
c = 105.412γ = 90
Symmetry
Space GroupI 2 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray291CCDMARMOSAIC 225 mm CCD2005-07-14MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1SYNCHROTRONMAX II BEAMLINE I7110.9775MAX III711

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
11.620980.05319.33.552954
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)
11.61.6699.50.52.23.3

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-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONFOURIER SYNTHESISTHROUGHOUT1R511.614.3250192270797.880.157020.155580.18296RANDOM24.744
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]
-0.110.090.02
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.238
r_dihedral_angle_4_deg17.32
r_dihedral_angle_3_deg15.054
r_dihedral_angle_1_deg7.117
r_long_range_B_refined7.069
r_long_range_B_other7.018
r_scangle_other5.86
r_scbond_it3.886
r_scbond_other3.885
r_mcangle_it3.328
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg36.238
r_dihedral_angle_4_deg17.32
r_dihedral_angle_3_deg15.054
r_dihedral_angle_1_deg7.117
r_long_range_B_refined7.069
r_long_range_B_other7.018
r_scangle_other5.86
r_scbond_it3.886
r_scbond_other3.885
r_mcangle_it3.328
r_mcangle_other3.328
r_angle_other_deg2.413
r_mcbond_other2.384
r_mcbond_it2.383
r_angle_refined_deg1.917
r_chiral_restr0.076
r_bond_refined_d0.013
r_gen_planes_refined0.013
r_bond_other_d0.001
r_gen_planes_other0.001
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2362
Nucleic Acid Atoms
Solvent Atoms221
Heterogen Atoms13

Software

Software
Software NamePurpose
REFMACrefinement
HKL-2000data reduction
SCALEPACKdata scaling
FFTphasing