3U52

X-ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase from Pseudomonas sp. OX1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	83.942, 141.761, 181.207
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 1.950
R-factor	0.18521
Rwork	0.183
R-free	0.22774
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2inn
RMSD bond length	0.018
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	EPMR
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	138448
Completeness [%]	92.5	82.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	100 mM Tris (pH 7.0), 150 mM Na2MoO4, 5% glycerol (v/v), 19% PEG 8000 (w/v), VAPOR DIFFUSION, HANGING DROP, temperature 291K