3S3A
Structure of Thermus thermophilus cytochrome ba3 oxidase 120s 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 |
Wavelength(s) | 1.127 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 110.290, 110.290, 170.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.568 - 4.250 |
R-factor | 0.2815 |
Rwork | 0.279 |
R-free | 0.32960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xme |
RMSD bond length | 0.020 |
RMSD bond angle | 1.646 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.568 | 110.290 | 4.480 |
High resolution limit [Å] | 4.250 | 13.440 | 4.250 |
Rmerge | 0.125 | 0.505 | |
Total number of observations | 5768 | 30674 | |
Number of reflections | 7893 | ||
<I/σ(I)> | 13.9 | 3.4 | 1.4 |
Completeness [%] | 99.8 | 95.3 | 100 |
Redundancy | 26.6 | 19.7 | 27.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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 |