3E2O
Crystal structure of cytochrome c peroxidase, N184R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.304, 75.916, 51.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.060 |
| R-factor | 0.1705 |
| Rwork | 0.163 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zby |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.080 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmerge | 0.060 | 0.640 |
| Number of reflections | 176123 | |
| <I/σ(I)> | 13.3 | 2.5 |
| Completeness [%] | 93.3 | 95.9 |
| Redundancy | 4.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 298 | 22% 2-methyl-2,4-pentanediol (MPD), 0.05M Tris-phosphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
