1O7P

NAPHTHALENE 1,2-DIOXYGENASE, PRODUCT COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-15
Detector	ADSC CCD
Spacegroup name	H 3 2
Unit cell lengths	139.673, 139.673, 208.439
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.950
Rwork	0.184
R-free	0.21700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg9
RMSD bond length	0.018
RMSD bond angle	1.799 *
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	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.070	0.254
Total number of observations	493885 *
Number of reflections	56759
<I/σ(I)>	4.8	2.8
Completeness [%]	99.8	100
Redundancy	8.7

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)