1TMX

Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-11
Detector	MARRESEARCH
Wavelength(s)	0.908
Spacegroup name	P 1 21 1
Unit cell lengths	46.283, 84.978, 83.923
Unit cell angles	90.00, 92.84, 90.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.1953
Rwork	0.193
R-free	0.24661
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.581
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	61454
<I/σ(I)>	22.2	6.4
Completeness [%]	94.1	69.6
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Ammonium sulfate, PEG 400, hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Ammonium sulfate, PEG 400, hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K