7XQN

InDel-mutant malate dehydrogenase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	52.640, 98.350, 118.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.170 - 1.980
R-factor	0.178
Rwork	0.178
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1emd
RMSD bond length	0.010
RMSD bond angle	1.285
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.130
High resolution limit [Å]	1.980	1.980
Number of reflections	43701	6971
<I/σ(I)>	8.55
Completeness [%]	100.0
Redundancy	27.1
CC(1/2)	0.995	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	35% (v/v) MPD, 100 mM sodium cacodylate/hydrochloric acid pH 6.5, 50 mM zinc acetate