8RWL

Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 43 21 2
Unit cell lengths	78.250, 78.250, 251.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.300
R-factor	0.2064
Rwork	0.204
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	1.032
Rmeas	0.064	1.113
Number of reflections	35833	2568
<I/σ(I)>	27.84	1.67
Completeness [%]	99.9
Redundancy	18.25
CC(1/2)	1.000	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	10 mM Hepes pH 7.5, 30% PEG 300