9RJX

W-formate dehydrogenase from Nitratidesulfovibrio vulgaris (Desulfovibrio vulgaris) - Soaking with Formamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	123.094, 148.557, 64.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.784 - 1.734
Rwork	0.192
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.270
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]	94.784	1.887
High resolution limit [Å]	1.734	1.734
Number of reflections	86871	4344
<I/σ(I)>	8.54
Completeness [%]	92.8
Redundancy	4.48
CC(1/2)	0.997	0.606

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