5IRP

Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 43 2 2
Unit cell lengths	72.888, 72.888, 332.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 2.100
R-factor	0.1567
Rwork	0.154
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ha1
RMSD bond length	0.007
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.096	0.553
Number of reflections	53961
<I/σ(I)>	21.5	4.8
Completeness [%]	100.0	100
Redundancy	11.4	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	290	15% PEG 4000 0.2M Magnesium Chloride 0.1M Tris pH 8.5