9RJY

W-formate dehydrogenase V197S from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	64.878, 127.366, 148.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.850 - 2.219
Rwork	0.219
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.280
High resolution limit [Å]	2.219	2.219
Number of reflections	61458	4329
<I/σ(I)>	7.3
Completeness [%]	99.7
Redundancy	6.1
CC(1/2)	0.994	0.366

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	26% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl