8JDY

Crystal structure of mLDHD in complex with 2-ketoisocaproic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	81.650, 102.100, 123.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.020 - 1.590
R-factor	0.1761
Rwork	0.175
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.096
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.020	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.059	1.382
Rmeas	0.061	1.444
Rpim	0.017	0.412
Total number of observations	886449	61178
Number of reflections	69238	5108
<I/σ(I)>	22	2.1
Completeness [%]	100.0
Redundancy	12.8	12
CC(1/2)	1.000	0.671

Crystallization Conditions

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