8BQK

W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min

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 EIGER2 S 16M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	64.684, 123.874, 149.181
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.484 - 1.587
Rwork	0.170
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sdr
RMSD bond length	0.007
RMSD bond angle	1.387
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.484	1.700
High resolution limit [Å]	1.587	1.587
Rmerge	0.077
Number of reflections	1299786	6489
<I/σ(I)>	11.336
Completeness [%]	92.3
Redundancy	4.68
CC(1/2)	0.998	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	22% PEG 3350, 0.1M Tris-HCl pH 8.0, 1M LiCl