9QYK

Crystal structure of human L-lactate Dehydrogenase B protein in complex with NADH, oxamate and sertraline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	84.760, 119.350, 159.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 2.060
R-factor	0.1745
Rwork	0.172
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	2.134
High resolution limit [Å]	2.060	2.060
Rpim	0.135	0.456
Number of reflections	100190	9686
<I/σ(I)>	12.18	1.77
Completeness [%]	99.8	97.87
Redundancy	13.4	13.3
CC(1/2)	0.988	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium formate, 20% (w/v) PEG 3350