6SDR

W-formate dehydrogenase from Desulfovibrio vulgaris - Oxidized form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	64.593, 127.644, 148.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.360 - 2.100
R-factor	0.1875
Rwork	0.185
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h0h
RMSD bond length	0.004
RMSD bond angle	0.688
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	136041	4590
<I/σ(I)>	9.3
Completeness [%]	99.2
Redundancy	5.4
CC(1/2)	0.990	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	32% PEG 3350, 0.1M Tris-HCl pH 8.5, 1M LiCl