1O7M

NAPHTHALENE 1,2-DIOXYGENASE, BINARY COMPLEX WITH DIOXYGEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-12-15
Detector	RIGAKU MSC
Spacegroup name	H 3 2
Unit cell lengths	140.277, 140.277, 208.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.750
Rwork	0.178
R-free	0.18800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg9
RMSD bond length	0.014
RMSD bond angle	1.629 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	REFMAC (5.0.36)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.321
Total number of observations	293928 *
Number of reflections	80092
<I/σ(I)>	10.2	2.2
Completeness [%]	94.0	86.5
Redundancy	3.67

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)