8JDX

Crystal structure of mLDHD in complex with 2-ketoisovaleric 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	2023-01-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	81.840, 102.260, 123.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.700 - 1.790
R-factor	0.1715
Rwork	0.170
R-free	0.19080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.871
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]	38.100	1.840
High resolution limit [Å]	1.790	1.790
Rmerge	0.097	1.220
Rmeas	0.101	1.268
Rpim	0.028	0.344
Total number of observations	648783	48627
Number of reflections	48959	3600
<I/σ(I)>	22.7	3
Completeness [%]	100.0
Redundancy	13.3	13.5
CC(1/2)	1.000	0.823

Crystallization Conditions

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