8CM7

W-formate dehydrogenase M405A from 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	2022-02-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	64.874, 123.833, 149.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.058 - 2.117
Rwork	0.197
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sdr
RMSD bond length	0.008
RMSD bond angle	1.547
Data reduction software	XDS
Data scaling software	STARANISO (2.3.79 (20211010))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.058	2.298
High resolution limit [Å]	2.117	2.117
Number of reflections	47566	2379
<I/σ(I)>	8.31
Completeness [%]	92.3
Redundancy	6.9
CC(1/2)	0.994	0.613

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