8JDZ

Crystal structure of mLDHD in complex with 2-keto-3-methylvaleric 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	82.070, 102.580, 122.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.130 - 1.560
R-factor	0.1816
Rwork	0.180
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.021
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]	41.030	1.600
High resolution limit [Å]	1.560	1.560
Rmerge	0.077	1.387
Rmeas	0.080	1.456
Rpim	0.022	0.439
Total number of observations	962013	58976
Number of reflections	73896	5430
<I/σ(I)>	16.8	1.7
Completeness [%]	100.0
Redundancy	13	10.9
CC(1/2)	0.999	0.686

Crystallization Conditions

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