3E5L
Crystal structure of CYP105P1 H72A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 88.635, 88.635, 191.473 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.230 - 2.400 |
| R-factor | 0.18656 |
| Rwork | 0.184 |
| R-free | 0.23533 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e5j |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.186 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 30777 | |
| <I/σ(I)> | 48.3 | 5.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 13.3 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 4.2M sodium formate, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
