8RC9

W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Exposed to air for 2 h

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	2022-07-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	65.180, 127.926, 149.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.190 - 2.060
Rwork	0.206
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sdv
RMSD bond length	0.005
RMSD bond angle	1.393
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]	97.190	2.150
High resolution limit [Å]	2.060	2.060
Number of reflections	65092	3256
<I/σ(I)>	7
Completeness [%]	87.9
Redundancy	4.3
CC(1/2)	0.991	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	22% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl