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7PLF

Human Carbonic Anhydrase I in complex with clorsulon

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 11.2C
Synchrotron siteELETTRA
Beamline11.2C
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.971800
Spacegroup nameP 21 21 21
Unit cell lengths62.270, 71.340, 121.410
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.920 - 1.461
Rwork0.177
R-free0.20500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1jv0
RMSD bond length0.013
RMSD bond angle1.825
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.9201.500
High resolution limit [Å]1.4601.460
Rmerge0.0631.191
Rmeas0.0651.241
Number of reflections943186929
<I/σ(I)>20
Completeness [%]100.0100
Redundancy12.4612.63
CC(1/2)0.9990.838
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29328-31% PEG4000, 0.2 M Sodium acetate, 0.1 M Tris pH 8.5-9.0

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