2JFZ

Crystal structure of Helicobacter pylori glutamate racemase in complex with D-Glutamate and an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	61.410, 76.310, 108.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.860
Rwork	0.205
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jfx
RMSD bond length	0.006
RMSD bond angle	1.250
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNX (2000.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.960
High resolution limit [Å]	1.860	1.860
Rmerge	0.070	0.420
Number of reflections	40333
<I/σ(I)>	9.1	1.7
Completeness [%]	93.6	86.4
Redundancy	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		PROTEIN FORMULATED AT 10 MG/ML WITH 200 MM AMMONIUM ACETATE PH 7.4, 5 MM D-L GLUTAMATE, 1 MM TCEP AND CRYSTALLISED WITH 100 MM TRIS PH 8, 200 MM AMMONIUM SULFATE, 25% PEG 3350 AND 20% GLYCEROL