4IIT
The Phenylacetyl-CoA monooxygenase PaaABC 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 | 2011-01-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 208.941, 208.941, 86.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.397 - 4.300 |
| R-factor | 0.2913 |
| Rwork | 0.288 |
| R-free | 0.36270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pw1 chains A and C 3egr chain A |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.243 |
| Data reduction software | DENZO |
| Data scaling software | XDS |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.370 |
| High resolution limit [Å] | 4.300 | 11.630 | 4.300 |
| Rmerge | 0.111 | 0.048 | |
| Number of reflections | 7908 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 100.0 | 100 | 99.7 |
| Redundancy | 17.8 | 17.9 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 100 mM MES pH 6.5, 12% 1-propanol, 10% PEG 5000MME, vapor diffusion, sitting drop, temperature 293K |
