8BQJ

W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 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	2022-03-01
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	123.351, 150.550, 64.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.597 - 2.107
Rwork	0.214
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sdr
RMSD bond length	0.003
RMSD bond angle	1.234
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]	95.597	2.359
High resolution limit [Å]	2.107	2.107
Number of reflections	45854	2293
<I/σ(I)>	9.051
Completeness [%]	92.9
Redundancy	4.33
CC(1/2)	0.994	0.552

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