1EG9

NAPHTHALENE 1,2-DIOXYGENASE WITH INDOLE BOUND IN THE ACTIVE SITE.

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	1998-12-05
Detector	ADSC QUANTUM 4r
Spacegroup name	H 3 2
Unit cell lengths	140.169, 140.169, 209.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.193
Rwork	0.190
R-free	0.22000
RMSD bond length	0.014 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	1.600	1.600
Rmerge	0.072	0.307
Total number of observations	896312 *
Number of reflections	102843 *
<I/σ(I)>	11.3
Completeness [%]	99.9	99
Redundancy	8.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	8 *	drop consists of equal volume of protein and reservoir solutions *

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)