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6LUV

apo- Carbonic Anhydrase II pH 7.8 20 atm CO2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron sitePAL/PLS
Beamline7A (6B, 6C1)
Temperature [K]100
Detector technologyCCD
Collection date2019-12-17
DetectorADSC QUANTUM 270
Wavelength(s)0.9793
Spacegroup nameP 1 21 1
Unit cell lengths42.256, 41.383, 72.004
Unit cell angles90.00, 104.18, 90.00
Refinement procedure
Resolution30.000 - 1.200
Rwork0.117
R-free0.14830
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5dsr
RMSD bond length0.030
RMSD bond angle2.435
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC (5.8.0124)
Refinement softwareREFMAC (5.8.0124 2015/06/02)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.220
High resolution limit [Å]1.2001.200
Rmerge0.0710.481
Rmeas0.0770.517
Rpim0.0280.191
Number of reflections714673475
<I/σ(I)>21.25.1
Completeness [%]94.391.2
Redundancy7.57.4
CC(1/2)0.9940.903
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.82931.3 M sodium citrate, 50 mM Tris-HCl

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