8JDF

Crystal structure of H405A 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	2023-04-17
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	I 2 2 2
Unit cell lengths	81.120, 103.420, 122.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.940 - 1.690
R-factor	0.1732
Rwork	0.172
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.830	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.098	0.918
Rmeas	0.102	0.970
Rpim	0.028	0.307
Total number of observations	716901	38882
Number of reflections	56971	4065
<I/σ(I)>	22.5	5.6
Completeness [%]	98.8
Redundancy	12.6	9.6
CC(1/2)	0.998	0.840

Crystallization Conditions

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