9EIA

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.127231
Spacegroup name	P 1 21 1
Unit cell lengths	79.420, 45.514, 119.140
Unit cell angles	90.00, 91.20, 90.00

Refinement procedure

Resolution	33.070 - 1.740
R-factor	0.1757
Rwork	0.174
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.070	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.112	0.567
Rpim	0.083	0.469
Number of reflections	84457	8214
<I/σ(I)>	10.3	1.52
Completeness [%]	96.2
Redundancy	2.5
CC(1/2)		0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.1 M Imidazole/MES monohydrate, pH 6.5, 20 % PEG 500 MME, 20% PEG 20,000, and 120 mM each of ethylene glycols (diethylene glycol, triethylene glycol, tetraethylene glycol and pentaethylene glycol)