8EB3

Crystal structure of glutamate racemase from Helicobacter pylori in complex with a fragment

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	2021-12-01
Detector	RDI CMOS_8M
Wavelength(s)	1.0721
Spacegroup name	P 1 21 1
Unit cell lengths	53.002, 95.985, 57.074
Unit cell angles	90.00, 112.97, 90.00

Refinement procedure

Resolution	47.990 - 2.200
R-factor	0.2163
Rwork	0.214
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w1q
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.990	47.990	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.059	0.032	0.233
Rmeas	0.070	0.037	0.289
Rpim	0.037	0.020	0.168
Total number of observations	85935	1331	5719
Number of reflections	26023	381	2105
<I/σ(I)>	12.4	20.4	4.7
Completeness [%]	97.4	94.1	92.1
Redundancy	3.3	3.5	2.7
CC(1/2)	0.996	0.997	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.075 mM Tris pH pH 8.47, 150 mM MgCl2