9SA7

Crystal structure of Methanocaldococcus jannaschii Malate dehydrogenase C7 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	P 32 2 1
Unit cell lengths	87.764, 87.764, 338.338
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	112.780 - 2.800
R-factor	0.2167
Rwork	0.215
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.818
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	169.170	2.945
High resolution limit [Å]	2.800	2.800
Rmerge	0.148	1.547
Rmeas	0.170
Rpim	0.080	0.843
Number of reflections	34675	1704
<I/σ(I)>	4.3	1.1
Completeness [%]	99.3	99.8
Redundancy	3.8
CC(1/2)	0.990	0.392

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	19-29 % Ethylene glycol Cryogenic conditions: 35% Ethylene glycol