8UDI

Crystal structure of Helicobacter pylori glutamate racemase bound to D-glutamate and a crystallographic artifact

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	.9272
Spacegroup name	P 21 21 21
Unit cell lengths	62.317, 81.969, 113.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.540 - 2.100
R-factor	0.1922
Rwork	0.190
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.970	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.042	0.523
Rmeas	0.047	0.577
Rpim	0.020	0.240
Total number of observations	180639	15389
Number of reflections	34681	2818
<I/σ(I)>	22.6	3.9
Completeness [%]	99.7
Redundancy	5.2	5.5
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4.5g/l HpGR 200mM Ammonium Acetate, 5mM D/L-Glutamate 20% DMSO 2.5mM ligand mixed 2:1 with INDEX G1 8% DMSO 1mM M3