1N5S

Crystal structure of a Monooxygenase from the gene ActVA-Orf6 of Streptomyces coelicolor in complex with the ligand Acetyl Dithranol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-25
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	47.082, 59.677, 71.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
Rwork	0.206
R-free	0.24600
Structure solution method	fourier difference
Starting model (for MR)	1lq9
RMSD bond length	0.015 *
RMSD bond angle	2.660 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.025	0.098
Total number of observations	228029 *
Number of reflections	22894
<I/σ(I)>	99.6	18.3
Completeness [%]	100.0	99.8
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	293	ammonium sulfate, PEG 200, Tris or Hepes buffer , pH 7.0, vapour diffusion + soaking, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.5 (M)
2	1	reservoir	HEPES	100 (mM)	pH7.0
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0
4	1	reservoir	PEG200	10-15 (%)