3S39
Structure of Thermus thermophilus cytochrome ba3 oxidase 60s 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 | 2009-11-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.127 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 113.610, 113.610, 176.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.800 - 4.800 |
R-factor | 0.3166 |
Rwork | 0.315 |
R-free | 0.34130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xme |
RMSD bond length | 0.011 |
RMSD bond angle | 1.312 |
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] | 56.800 | 88.275 | 5.060 |
High resolution limit [Å] | 4.800 | 15.180 | 4.800 |
Rmerge | 0.075 | 0.545 | |
Total number of observations | 4320 | 17672 | |
Number of reflections | 6087 | ||
<I/σ(I)> | 13.9 | 8 | 1.4 |
Completeness [%] | 99.7 | 90.4 | 100 |
Redundancy | 20.4 | 19.5 | 20.5 |
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 |