1NDO

NAPHTHALENE 1,2-DIOXYGENASE

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	105.000, 174.000, 282.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200 *
R-factor	0.194 *
Rwork	0.190
R-free	0.23800 *
Structure solution method	MIR AND MAD
RMSD bond length	0.020
RMSD bond angle	0.040
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.200 *	2.250
Rmerge	0.091	0.386 *
Number of reflections	117067	5920 *
<I/σ(I)>	14.66	3.6
Completeness [%]	96.0 *	97 *
Redundancy	6.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	ammonium sulfate	2.31 (M)
3	1	reservoir	MES	0.1 (M)
4	1	reservoir	PEG	2 (%)