3QJT
The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus
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 | 2008-04-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.964, 114.964, 148.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.620 - 2.950 |
| R-factor | 0.26101 |
| Rwork | 0.258 |
| R-free | 0.32320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xme |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.022 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Number of reflections | 19662 | |
| <I/σ(I)> | 3.5 | 1.8 |
| Completeness [%] | 92.1 | 92.1 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K |
