9SD3

Crystal structure of Methanocaldococcus infernus Malate dehydrogenase

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	C 1 2 1
Unit cell lengths	208.180, 103.680, 177.400
Unit cell angles	90.00, 123.97, 90.00

Refinement procedure

Resolution	66.910 - 2.200
R-factor	0.1853
Rwork	0.184
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.568
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.742
Rmeas	0.090	0.896
Number of reflections	151936	11375
<I/σ(I)>	9.55	1.4
Completeness [%]	95.6
Redundancy	2.9
CC(1/2)	0.998	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.2M ammonium acetate, 0.1M Hepes pH 7.5, 43-48% Methylpentanediol (MPD) Cryo-protectant: 10% Glycerol