9QCG

Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 4 at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 41 21 2
Unit cell lengths	75.305, 75.305, 270.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.900 - 2.390
R-factor	0.2651
Rwork	0.263
R-free	0.30890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.457
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.550
High resolution limit [Å]	2.390	2.390
Rmerge	0.648	4.549
Number of reflections	58746	10401
<I/σ(I)>	4.19	0.43
Completeness [%]	99.9
Redundancy	14
CC(1/2)	0.992	0.323

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M potassium citrate tribasic monohydrate, 17% PEG3350