3S3C
Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 113.920, 113.920, 177.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.850 - 4.000 |
| R-factor | 0.342 |
| Rwork | 0.341 |
| R-free | 0.37300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xme |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.424 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.850 | 4.220 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Rmerge | 0.438 | |
| Number of reflections | 10443 | |
| <I/σ(I)> | 18.9 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 27.2 | 27.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 297 | 12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K |
