3P3O

Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	H 3
Unit cell lengths	129.060, 129.060, 71.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.320 - 1.540
R-factor	0.15801
Rwork	0.156
R-free	0.18769
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.575
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.5.0082)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.580
High resolution limit [Å]	1.540	1.540
Number of reflections	64806
<I/σ(I)>	27.5	2.9
Completeness [%]	98.9	99.3
Redundancy	7.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	0.1M NaCl, 2.2M AS, 0.1 M Tris pH=8.6-8.8, 14 mg/mL, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	0.1M NaCl, 2.2M AS, 0.1 M Tris pH=8.6-8.8, 14 mg/mL, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K