9QM1

W-formate dehydrogenase U192C from Desulfovibrio vulgaris - Soaked with Dithionite

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	2021-06-18
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	61.800, 122.511, 146.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.930 - 1.997
Rwork	0.214
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.930	2.030
High resolution limit [Å]	1.997	1.997
Number of reflections	76000	3736
<I/σ(I)>	9.3
Completeness [%]	99.6
Redundancy	7
CC(1/2)	0.994	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	26% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl