1FFV

CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	108
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	86.373, 193.793, 218.755
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.209 *
Rwork	0.209
R-free	0.23700
RMSD bond length	0.007 *
RMSD bond angle	1.720 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.083	0.358
Total number of observations	433970 *
Number of reflections	162740 *
<I/σ(I)>	7.7
Completeness [%]	94.0	79.7
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	4 *	potassium sodium tartrate, dihydrogen ammonium phosphate, methylpentandediol, dithioerythritol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35.5 (mg/ml)
2	1	drop	HEPES-NaOH	50 (mM)
3	1	reservoir	sodium potassium tartrate	1.1 (M)
4	1	reservoir	ammonium phosphate	0.3 (M)
5	1	reservoir	MPD	3 (%(w/v))
6	1	reservoir	DTE	10 (mM)