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 |