4L4G
Structure of cyanide and camphor bound P450cam mutant L358P/K178G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.072, 58.790, 57.072 |
| Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
| Resolution | 35.876 - 1.550 |
| R-factor | 0.1745 |
| Rwork | 0.172 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.238 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.076 | 0.433 |
| Number of reflections | 53044 | |
| <I/σ(I)> | 5.6 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50 mM Tris, 400 mM potassium chloride, 32% PEG4000, 1.2 mM D-camphor, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
