3PVR
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with benzoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 77.2 |
Detector technology | CCD |
Collection date | 2009-11-25 |
Detector | RAYONIX MX-300 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.631, 77.631, 300.688 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.586 - 2.100 |
R-factor | 0.1897 |
Rwork | 0.188 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1otk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.118 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.586 | 50.000 | 2.130 |
High resolution limit [Å] | 2.100 | 4.440 | 2.060 |
Rmerge | 0.078 | 0.038 | 0.433 |
Number of reflections | 54874 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 99.5 | 99.5 | 96.6 |
Redundancy | 5.8 | 6.7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM PIPES, 5% PEG550 MME, 5% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |