5W16

Crystal structure of glutamate racemase from Thermus thermophilus 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	2017-05-13
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	81.677, 96.728, 179.066
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.929 - 1.909
R-factor	0.1872
Rwork	0.185
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hj7
RMSD bond length	0.014
RMSD bond angle	1.249
Data reduction software	XDS (2016-01-11)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.410	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.074	1.400
Rmeas	0.087	1.664
Rpim	0.045	0.891
Number of reflections	112287	16206
<I/σ(I)>	14.5	1.3
Completeness [%]	99.9	100
Redundancy	7	6.7
CC(1/2)	0.999	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	0.1 M Tris, pH 8.5, 2.5 M ammonium nitrate