8J83

Crystal structure of formate dehydrogenase from Methylorubrum extorquens AM1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900000
Spacegroup name	C 1 2 1
Unit cell lengths	232.860, 73.950, 95.740
Unit cell angles	90.00, 106.72, 90.00

Refinement procedure

Resolution	47.480 - 2.400
R-factor	0.2212
Rwork	0.219
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	57343	4364
<I/σ(I)>	8.5
Completeness [%]	93.6
Redundancy	2.8
CC(1/2)	0.994	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Trisodium citrate dihydrate, Tris-HCl, PEG 400, NAD