1G0O

STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND PYROQUILON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	102
Detector technology	IMAGE PLATE
Collection date	1997-09-29
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	65.000, 143.300, 141.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.700
R-factor	0.176 *
Rwork	0.176
R-free	0.21300
RMSD bond length	0.010
RMSD bond angle	1.420
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]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.072	0.227
Total number of observations	543990 *
Number of reflections	141563 *
<I/σ(I)>	24.5
Completeness [%]	97.2	86.9
Redundancy	3.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	PEG 6K, glycerol, Hepes-NaOH, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 274K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	15 (%)
2	1	reservoir	glycerol	14 (%)
3	1	reservoir	HEPES-NaOH	0.1 (M)
4	1	drop	protein	20-23 (mg/ml)
5	1	drop	Tris-HCl	50 (mM)
6	1	drop	NADPH	10 (mM)
7	1	drop	inhibitor	2 (mM)