3ABA
Crystal structure of CYP105P1 in complex with filipin I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 91.368, 91.368, 151.239 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.740 - 1.800 |
| R-factor | 0.19001 |
| Rwork | 0.188 |
| R-free | 0.23802 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e5j |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.138 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.088 | 0.465 |
| Number of reflections | 59975 | |
| <I/σ(I)> | 38.7 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.8 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 298 | (NH4)2SO4, Li2SO4, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
