8RQZ

Crystal structure of Molybdenum bispyranopterin guanine dinucleotide formate dehydrogenases ForCE1 from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-16
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.87313
Spacegroup name	F 2 2 2
Unit cell lengths	210.833, 210.500, 494.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.410 - 2.694
R-factor	0.1974
Rwork	0.196
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	STARANISO (2.3.89)
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.4 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.880
High resolution limit [Å]	2.650	2.650
Rmeas	0.340	0.136
Number of reflections	96030	34385
<I/σ(I)>	5.6	1.5
Completeness [%]	93.6	65.8
Redundancy	7.8	7.1
CC(1/2)	0.984	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1.5 M sodium manolate pH 7