8JDE

Crystal structure of mLDHD in complex with D-lactate

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	2022-11-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	82.124, 102.403, 123.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.062 - 1.729
R-factor	0.1754
Rwork	0.174
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.929
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]	68.370	1.820
High resolution limit [Å]	1.729	1.730
Rmerge	0.040	0.564
Rmeas	0.043	0.617
Rpim	0.017	0.248
Total number of observations		46874
Number of reflections	51777	7889
<I/σ(I)>	22.5	2.7
Completeness [%]	94.8
Redundancy	6.3	5.9
CC(1/2)	0.999	0.866

Crystallization Conditions

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