6T8C

Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in the apo 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	2018-06-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	99.357, 112.492, 147.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.950 - 1.970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xyg
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.950	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.096	0.638
Rpim	0.045	0.306
Number of reflections	636455	61436
<I/σ(I)>	13.96	3.23
Completeness [%]	99.8
Redundancy	5.5
CC(1/2)	0.997	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.04 M Potassium phosphate monobasic, 16 % w/v PEG 8000, 20 % Glycerol