8JDS

Crystal structure of mLDHD in complex with Pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	81.341, 102.740, 122.292
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.563 - 1.636
R-factor	0.1771
Rwork	0.176
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.140	1.720
High resolution limit [Å]	1.636	1.640
Rmerge	0.061	0.636
Rmeas	0.065	0.692
Rpim	0.021	0.264
Total number of observations		56950
Number of reflections	59016	8974
<I/σ(I)>	18.8	2.9
Completeness [%]	93.1
Redundancy	8.7	6.3
CC(1/2)	0.998	0.841

Crystallization Conditions

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