3WR5

Structural basis on the efficient CO2 reduction of acidophilic formate dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-19
Detector	RIGAKU SATURN A200
Wavelength(s)	0.8000
Spacegroup name	P 21 21 21
Unit cell lengths	55.942, 72.729, 386.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.250 - 2.142
R-factor	0.1742
Rwork	0.172
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nad
RMSD bond length	0.009
RMSD bond angle	1.355
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.140	2.140
Number of reflections	88253
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.4M Lithium chloride, 0.1M Tris-HCl pH 7.5, 24% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 298K