3S38
Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.127 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.280, 108.280, 159.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.590 - 4.200 |
R-factor | 0.2784 |
Rwork | 0.276 |
R-free | 0.32520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xme |
RMSD bond length | 0.019 |
RMSD bond angle | 1.533 |
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] | 89.592 | 108.280 | 4.430 |
High resolution limit [Å] | 4.200 | 13.280 | 4.200 |
Rmerge | 0.086 | 0.459 | |
Total number of observations | 4061 | 20025 | |
Number of reflections | 7388 | ||
<I/σ(I)> | 11.6 | 6.5 | 1.6 |
Completeness [%] | 99.8 | 93 | 100 |
Redundancy | 18.2 | 14.9 | 19.2 |
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 |