4PXH
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00002 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 161.700, 161.700, 337.490 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.893 - 2.700 |
| R-factor | 0.21608 |
| Rwork | 0.214 |
| R-free | 0.24598 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pwv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.893 | 3.000 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.117 | 0.661 |
| Number of reflections | 72098 | |
| <I/σ(I)> | 24.5 | 5.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.7 | 19.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG3350, 0.15 M calcium acetate, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
