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6UZU

Carbonic Anhydrase IX-mimic In Complex WITH U-CH3

Replaces:  5JN1
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2015-10-15
DetectorADSC QUANTUM 4
Wavelength(s)0.98
Spacegroup nameP 1 21 1
Unit cell lengths42.152, 41.364, 71.933
Unit cell angles90.00, 103.83, 90.00
Refinement procedure
Resolution29.094 - 1.500
R-factor0.1623
Rwork0.161
R-free0.18420
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ks3
RMSD bond length0.009
RMSD bond angle1.316
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.10pre_2097)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.530
High resolution limit [Å]1.5004.0701.500
Rmerge0.0580.0460.347
Rmeas0.0630.0490.401
Rpim0.0230.0180.197
Number of reflections6554620321555
<I/σ(I)>11.9
Completeness [%]97.699.680.3
Redundancy6.87.23.9
CC(1/2)0.9980.871
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2931.6 M Na-Citrate, 50 mM Tris, pH 7.8

219869

PDB entries from 2024-05-15

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