1O7H

NAPHTHALENE 1,2-DIOXYGENASE WITH OXIDIZED RIESKE IRON SULPHUR CENTER SITE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-15
Detector	CHESS 80MM
Spacegroup name	H 3 2
Unit cell lengths	138.308, 138.308, 206.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
Rwork	0.208
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg9
RMSD bond length	0.013
RMSD bond angle	1.522
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0.36)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.074	0.363
Number of reflections	37958
<I/σ(I)>	16
Completeness [%]	98.0	98.6
Redundancy	4.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	8 *	Carredano, E., (2000) J. Mol. Biol., 296, 701. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2 (M)
3	1	reservoir	dioxane	2-3 (%)
4	1	reservoir	MES	50 (mM)