8JDT

Crystal structure of mLDHD in complex with 2-ketobutanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	81.900, 102.610, 122.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.010 - 1.550
R-factor	0.1837
Rwork	0.182
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.096
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.010	1.590
High resolution limit [Å]	1.550	1.550
Rmerge	0.101	1.345
Rmeas	0.105	1.396
Rpim	0.029	0.372
Total number of observations	990622	73557
Number of reflections	74388	5394
<I/σ(I)>	14	2.2
Completeness [%]	99.6
Redundancy	13.3	13.6
CC(1/2)	0.997	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	4.0 M sodium formate