1N5V

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

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	2001-03-26
Detector	MARRESEARCH
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	47.389, 59.921, 71.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.240
Rwork	0.214
R-free	0.27200
Structure solution method	fourier difference
Starting model (for MR)	1lq9
RMSD bond length	0.013 *
RMSD bond angle	2.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.127	0.591
Total number of observations	68040 *
Number of reflections	10268
<I/σ(I)>	12.4	2.1
Completeness [%]	99.9	99
Redundancy	6.6

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 cocrystals, 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 (%)