3PW1
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with phenylacetyl-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 | 77.617, 77.617, 300.364 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.553 - 2.250 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.23330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1otk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.196 |
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] | 37.553 | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
Rmerge | 0.098 | 0.041 | 0.459 |
Number of reflections | 44432 | ||
<I/σ(I)> | 6.5 | ||
Completeness [%] | 99.1 | 99.5 | 94.4 |
Redundancy | 6.7 | 6.7 | 5.9 |
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 |