30IZ

Ignicoccus islandicus malate dehydrogenase V27A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	81.865, 107.944, 143.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.180 - 2.020
R-factor	0.1917
Rwork	0.189
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.180	2.261
High resolution limit [Å]	2.019	2.019
Rpim	0.105	0.632
Number of reflections	689056	33212
<I/σ(I)>	8.1	1.4
Completeness [%]	91.5
Redundancy	13.3
CC(1/2)	0.990	0.324

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	14-24% PEG3350 / 0.2M Malonate