9EID

A broad-substrate spectrum lactate racemase A from Isosphaera pallida in complex with D-2-Hydroxybutyrate

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	P 21 21 21
Unit cell lengths	46.725, 79.613, 104.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.110 - 1.380
R-factor	0.1521
Rwork	0.151
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.110	1.410
High resolution limit [Å]	1.380	1.380
Rmerge	0.095	0.763
Rmeas	0.099	0.818
Rpim	0.027	0.288
Number of reflections	80218	3732
<I/σ(I)>	18.6	2.9
Completeness [%]	99.7
Redundancy	12.8
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.1 M Bis-Tris buffer pH 6.0, 25% PEG 5000, and 2.8 mM Sodium D/L-2-hydroxybutyrate