8JDG

Crystal structure of H405A mLDHD in complex with D-2-hydroxybutanoic 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	81.390, 103.400, 122.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.550 - 1.310
R-factor	0.186
Rwork	0.185
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.980	1.340
High resolution limit [Å]	1.310	1.310
Rmerge	0.155	1.013
Rmeas	0.161	1.090
Rpim	0.045	0.398
Total number of observations	1522281	65876
Number of reflections	123299	9027
<I/σ(I)>	10	1.7
Completeness [%]	100.0
Redundancy	12.3	7.3
CC(1/2)	0.992	0.684

Crystallization Conditions

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