9GDF
Chloride bound structure of oxidized ba3-type cytochrome c oxidase confirmed by single-wavelength anomalous diffraction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.9997 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.688, 98.340, 94.085 |
Unit cell angles | 90.00, 127.58, 90.00 |
Refinement procedure
Resolution | 74.540 - 2.280 |
R-factor | 0.15527 |
Rwork | 0.153 |
R-free | 0.19652 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.704 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.540 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Number of reflections | 44643 | 2943 |
<I/σ(I)> | 18 | |
Completeness [%] | 94.4 | |
Redundancy | 9.2 | |
CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.3 | 298 | 1.4 M NaCl, 100 mM MES. 40-43 % (v/v) PEG 400 |