3QJR
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 BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 108.810, 108.810, 164.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 3.200 |
| R-factor | 0.32062 |
| Rwork | 0.318 |
| R-free | 0.36668 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xme |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.488 |
| 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] | 76.940 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Number of reflections | 16200 | |
| <I/σ(I)> | 5.2 | 2 |
| Completeness [%] | 96.6 | 97.6 |
| Redundancy | 5.4 | 6.9 |
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 |
