9RJT

W-formate dehydrogenase from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris) - Dithionite reduced - anaerobic soaked with 58 bar CO2 for 1 min

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	2022-11-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	64.993, 124.845, 150.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.442 - 1.830
Rwork	0.190
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.374
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]	64.442	1.988
High resolution limit [Å]	1.830	1.830
Number of reflections	73531	3677
<I/σ(I)>	8.518
Completeness [%]	88.6
Redundancy	8.53
CC(1/2)	0.989	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	22% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl