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5ZI0

Ketoreductase LbCR mutant - M8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]100
Detector technologyCCD
Collection date2017-12-10
DetectorADSC QUANTUM 315r
Wavelength(s)0.97918
Spacegroup nameC 2 2 21
Unit cell lengths71.929, 118.194, 248.051
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.006 - 2.302
R-factor0.1707
Rwork0.168
R-free0.22000
RMSD bond length0.008
RMSD bond angle1.055
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX (1.8.2_1309)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.3002.300
Rmerge0.0620.094
Number of reflections46187
<I/σ(I)>18.906
Completeness [%]97.6
Redundancy10.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP291.150.1M MIB buffer (malonic acid:imidazole:boric acid in a mo-lar ratio of 2:3:3) pH 6.0, 21% (v/v) PEG 1500

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