8S88

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

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	2021-10-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 1 21 1
Unit cell lengths	66.530, 413.960, 85.300
Unit cell angles	90.00, 109.57, 90.00

Refinement procedure

Resolution	48.670 - 2.070
R-factor	0.2156
Rwork	0.213
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.245
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]	48.670	2.149
High resolution limit [Å]	2.070	2.070
Number of reflections	259434	25018
<I/σ(I)>	9.23	1.3
Completeness [%]	99.3
Redundancy	7.1
CC(1/2)	0.956	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Bis-Tris pH 5.5, 25% (W/V) PEG 3350