3X39
Domain-swapped dimer of Pseudomonas aeruginosa cytochrome c551
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 82.611, 82.611, 89.828 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.14178 |
| Rwork | 0.139 |
| R-free | 0.18814 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 351c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.604 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.062 | 0.551 |
| Number of reflections | 29583 | |
| <I/σ(I)> | 57.942 | 7.026 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.7 | 20.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1M HEPES-NaOH buffer containing 1.4M sodium citrate tribasic dehydrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
