1B25

FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-04
Spacegroup name	P 21 21 21
Unit cell lengths	100.340, 170.850, 180.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.174 *
Rwork	0.174
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aor
RMSD bond length	0.080
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.074 *	0.234 *
Total number of observations	928734 *
Number of reflections	240510
<I/σ(I)>	14	2.6
Completeness [%]	91.4	83.6
Redundancy	3.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	melting-point capillary method *	5.6		pH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	55-65 (mg/ml)
2	1	1	Tris-HCl	50 (mM)
3	1	1	dithionite	2.0 (mM)
4	1	1	dithiothreitol	2 (mM)
5	1	1		0.2 (M)
6	1	2	glycerol	30 (%(v/v))
7	1	2	PEG4000	20 (%(w/v))
8	1	2	sodium citrate	0.1 (M)
9	1	2		0.2 (M)