7UJ5

Crystal structure of glutamate racemase from Helicobacter pylori in complex with 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	2018-12-07
Detector	RDI CMOS_8M
Wavelength(s)	1.0721
Spacegroup name	P 1 21 1
Unit cell lengths	62.042, 86.335, 107.658
Unit cell angles	90.00, 91.62, 90.00

Refinement procedure

Resolution	40.060 - 1.750
R-factor	0.1807
Rwork	0.179
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w1q
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.060	40.060	1.780
High resolution limit [Å]	1.750	9.590	1.750
Rmerge	0.068	0.023	0.762
Rmeas	0.080	0.027	0.906
Rpim	0.041	0.014	0.485
Total number of observations	409549	2421	18928
Number of reflections	111650	694	5523
<I/σ(I)>	12.8	33.4	1.5
Completeness [%]	97.8	94	98
Redundancy	3.7	3.5	3.4
CC(1/2)	0.998	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	296	18-32% PEG4000, 200 mM MgSO4, 100 mM Tris pH 8.00