6KOC
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 113.930, 162.200, 151.320 |
Unit cell angles | 90.00, 109.76, 90.00 |
Refinement procedure
Resolution | 48.270 - 3.800 |
Rwork | 0.325 |
R-free | 0.36910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kob |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3235) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.280 | 3.920 |
High resolution limit [Å] | 3.800 | 3.800 |
Rmerge | 0.220 | 1.264 |
Number of reflections | 50255 | 4597 |
<I/σ(I)> | 3.4 | |
Completeness [%] | 98.5 | |
Redundancy | 2.6 | |
CC(1/2) | 0.878 | 0.382 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 295 | 0.1 M Calcium chloride, 0.1M Tris pH 6.3, 13% PEG 2000 MME |