9Q2U

Crystal structure of lactate racemase A with a single catalytic histidine from Streptococcus plurextorum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	I 4
Unit cell lengths	145.224, 145.224, 116.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.230 - 3.110
R-factor	0.2256
Rwork	0.223
R-free	0.28240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.230	3.161
High resolution limit [Å]	3.108	3.108
Rmerge	0.326	4.635
Rmeas	0.338	4.800
Rpim	0.090	1.244
Number of reflections	21937	1077
<I/σ(I)>	7.3	0.7
Completeness [%]	100.0
Redundancy	14.1
CC(1/2)	0.995	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	294	0.49 M Sodium phosphate monobasic monohydrate and 0.91 M Potassium phosphate dibasic