5WK7
P450cam mutant R186A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-28 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.820, 58.420, 57.250 |
| Unit cell angles | 90.00, 104.97, 90.00 |
Refinement procedure
| Resolution | 45.239 - 1.983 |
| R-factor | 0.1674 |
| Rwork | 0.163 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.237 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rpim | 0.046 | 0.313 |
| Number of reflections | 25277 | 1788 |
| <I/σ(I)> | 8.5 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.6 | 3.5 |
| CC(1/2) | 0.997 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50mM Tris, pH 7.4, 400mM KCl, 32% PEG4000, 1.2 mM D-camphor |
