5W1Q

Crystal structure of alternate isoform of glutamate racemase from Helicobacter pylori bound to D-glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-06-04
Detector	RDI CMOS_8M
Wavelength(s)	1.001374
Spacegroup name	P 2 21 21
Unit cell lengths	61.878, 85.555, 105.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.878 - 1.950
R-factor	0.1714
Rwork	0.168
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jfy
RMSD bond length	0.013
RMSD bond angle	1.109
Data reduction software	XDS (VERSION May 1, 2016)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.880	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.187	1.108
Rmeas	0.224	1.335
Rpim	0.122	0.734
Number of reflections	41793	6006
<I/σ(I)>	10.3	1.8
Completeness [%]	100.0	100
Redundancy	6.3	6.3
CC(1/2)	0.991	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	100 mM Tris, pH 7.5-8.5, 200 mM ammonium acetate, 20-25% PEG3350, 20% glycerol