4II4
The Phenylacetyl-CoA monooxygenase - mutant PaaA E49Q K68Q - PaaC wild type 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 | 2010-12-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 77.595, 77.595, 304.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.638 - 2.799 |
| R-factor | 0.2213 |
| Rwork | 0.218 |
| R-free | 0.27550 |
| Structure solution method | isomorphous replacement with 3PW1 |
| Starting model (for MR) | 3pw1 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.127 | 0.043 | |
| Number of reflections | 24054 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 99.8 | 96.9 | 100 |
| Redundancy | 14 | 10.8 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
