8CM6

W-formate dehydrogenase C872A from Desulfovibrio vulgaris - 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 1
Unit cell lengths	74.467, 74.949, 122.806
Unit cell angles	73.87, 89.14, 71.12

Refinement procedure

Resolution	117.570 - 1.416
Rwork	0.148
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.696
Data reduction software	XDS
Data scaling software	STARANISO (2.3.79 (20211010))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.570	1.540
High resolution limit [Å]	1.416	1.416
Number of reflections	346803	17340
<I/σ(I)>	8.01
Completeness [%]	92.3
Redundancy	2
CC(1/2)	0.997	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	34% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl