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6G56

Apo-structure of the alanine racemase from Staphylococcus aureus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2015-04-08
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.976
Spacegroup nameP 21 21 21
Unit cell lengths64.701, 114.521, 126.093
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution84.780 - 2.150
R-factor0.21871
Rwork0.217
R-free0.25386
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4a3q
RMSD bond length0.011
RMSD bond angle1.428
Data reduction softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]84.7802.200
High resolution limit [Å]2.1502.150
Rmerge0.1661.730
Rmeas0.200
Number of reflections514584390
<I/σ(I)>60.4
Completeness [%]100.099
Redundancy5.25.1
CC(1/2)0.9900.850
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2772M Ammonium sulphate, 50mM Sodium acetate, pH 6

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