3S3B
Structure of Thermus thermophilus cytochrome ba3 oxidase 240s 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 | 109.920, 109.920, 170.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.320 - 3.300 |
R-factor | 0.2586 |
Rwork | 0.257 |
R-free | 0.29880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xme |
RMSD bond length | 0.015 |
RMSD bond angle | 1.634 |
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] | 92.323 | 85.055 | 3.480 |
High resolution limit [Å] | 3.300 | 10.440 | 3.300 |
Rmerge | 0.063 | 0.562 | |
Total number of observations | 14023 | 56020 | |
Number of reflections | 16369 | ||
<I/σ(I)> | 16.2 | 8.8 | 1.3 |
Completeness [%] | 99.9 | 97.7 | 100 |
Redundancy | 24.9 | 23.1 | 23.9 |
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 |