1S9A

Crystal Structure of 4-Chlorocatechol 1,2-dioxygenase from Rhodococcus opacus 1CP

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.00067
Spacegroup name	P 63 2 2
Unit cell lengths	89.328, 89.328, 313.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	158.100 - 2.470
R-factor	0.21612
Rwork	0.212
R-free	0.28963
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.298
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	158.100	2.540
High resolution limit [Å]	2.470	2.470
Number of reflections	26170
<I/σ(I)>	13.2	2.8
Completeness [%]	92.2	99.7
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	ammonium sulphate, sodium chloride, tris, glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K