9RK1

W-formate dehydrogenase W491E from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	64.824, 128.043, 148.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.374 - 1.993
Rwork	0.209
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.225
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.374	2.146
High resolution limit [Å]	1.993	1.993
Number of reflections	69547	3477
<I/σ(I)>	7.12
Completeness [%]	93.2
Redundancy	6.98
CC(1/2)	0.987	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	30% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl