6Q70

Crystal structure of the alanine racemase Bsu17640 from Bacillus subtilis in the presence of HEPES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979340
Spacegroup name	P 43 2 2
Unit cell lengths	73.655, 73.655, 331.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.290 - 2.050
R-factor	0.18786
Rwork	0.185
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5irp
RMSD bond length	0.026
RMSD bond angle	2.376
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.290	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.100
Rpim	0.050
Number of reflections	58818
<I/σ(I)>	10.1
Completeness [%]	99.0
Redundancy	16.5
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	290	15% PEG 4000, 0.2 MgCl2, 0.1 M Hepes