2EI0

Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 3,4-dihydroxybiphenyl

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-01
Detector	CUSTOM-MADE
Wavelength(s)	0.99
Spacegroup name	I 4 2 2
Unit cell lengths	117.870, 117.870, 121.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 1.600
R-factor	0.16059
Rwork	0.160
R-free	0.17562
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1han
RMSD bond length	0.009
RMSD bond angle	1.169
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.600	1.600
Number of reflections	49031
Completeness [%]	100.0	99.9
Redundancy	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.8M NaCl, 0.1M MgCl2, 0.1M Hepes, anaerobic crystallization, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K