3PW8
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with acetyl-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 | 2010-05-24 |
| Detector | RAYONIX MX-300 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 122.796, 122.796, 153.756 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.170 - 2.970 |
| R-factor | 0.20906 |
| Rwork | 0.206 |
| R-free | 0.25916 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pvt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.199 |
| 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] | 46.170 | 50.000 | 3.020 |
| High resolution limit [Å] | 2.970 | 8.050 | 2.970 |
| Rmerge | 0.150 | 0.034 | 0.681 |
| Number of reflections | 27887 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 99.0 | 96.4 | 99.6 |
| Redundancy | 6.3 | 5.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM sodium citrate, 15% PEG6000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
