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2VD9

The crystal structure of alanine racemase from Bacillus anthracis (BA0252) with bound L-Ala-P

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2007-03-20
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths59.692, 96.504, 140.660
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.640 - 2.100
R-factor0.19
Rwork0.188
R-free0.23900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2vd8
RMSD bond length0.008
RMSD bond angle1.195
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.2300.880
Number of reflections48124
<I/σ(I)>7.11.2
Completeness [%]99.99
Redundancy6.94.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.525% (W/V) POLYETHYLENE GLYCOL 3350, 0.1M BIS-TRIS PH6.5, SOAKED IN 10MM L-ALA-P FOR 45 MINUTES, CRYOPROTECTED IN 25% GLYCEROL

217705

數據於2024-03-27公開中

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