3IHM

Structure of the oxygenase component of a Pseudomonas styrene monooxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-01
Detector	MAR CCD 165 mm
Wavelength(s)	1.03
Spacegroup name	P 63
Unit cell lengths	114.302, 114.302, 140.803
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.410 - 2.300
R-factor	0.207
Rwork	0.206
R-free	0.24400
Structure solution method	MIRAS, MR
RMSD bond length	0.006
RMSD bond angle	0.891
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.310
High resolution limit [Å]	2.270	6.160	2.270
Rmerge	0.093	0.036	0.378
Number of reflections	48378
<I/σ(I)>	8
Completeness [%]	100.0	99.9	100
Redundancy	11.6	11.2	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5, 30% (w/v) PEG-4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5, 30% (w/v) PEG-4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K