9RJZ

W-formate dehydrogenase Q447A from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	P 21 21 21
Unit cell lengths	64.946, 127.011, 149.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.546 - 2.123
Rwork	0.213
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.470
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]	59.546	2.260
High resolution limit [Å]	2.123	2.123
Number of reflections	59308	2965
<I/σ(I)>	6.3
Completeness [%]	91.5
Redundancy	6.5
CC(1/2)	0.985	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	24% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl