3PWQ
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex
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 | 2009-12-16 |
| Detector | RAYONIX MX-300 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 110.257, 109.062, 305.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 2.650 |
| R-factor | 0.2357 |
| Rwork | 0.234 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pvt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.059 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.200 | 50.000 | 2.730 |
| High resolution limit [Å] | 2.650 | 5.690 | 2.640 |
| Rmerge | 0.081 | 0.042 | 0.547 |
| Number of reflections | 107560 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 6.5 | 7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM Na-ADA, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
