8RCG

W-formate dehydrogenase M405S from Desulfovibrio vulgaris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-27
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	64.341, 127.226, 148.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.592 - 2.005
Rwork	0.212
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.313
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]	48.592	2.118
High resolution limit [Å]	2.005	2.005
Number of reflections	71441	3573
<I/σ(I)>	7.381
Completeness [%]	93.0
Redundancy	4.61
CC(1/2)	0.996	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	32% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl