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 |