6DLI

Crystal structure of glutamate racemase from Thermus thermophilus in complex with Beta-chloro-D-alanine

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	2017-05-14
Detector	RDI CMOS_8M
Wavelength(s)	1.0721
Spacegroup name	P 21 21 21
Unit cell lengths	80.888, 95.605, 179.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.054 - 2.700
R-factor	0.2111
Rwork	0.209
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hj7
RMSD bond length	0.017
RMSD bond angle	1.787
Data reduction software	XDS (2016-01-11)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.054	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.098
Number of reflections	39012
<I/σ(I)>	12
Completeness [%]	99.2
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	0.1 M HEPES, pH 7.5, 2.0 M ammonium formate