8K6Y
Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2018-02-18 |
Detector | MPCCD |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.850, 100.320, 96.620 |
Unit cell angles | 90.00, 126.76, 90.00 |
Refinement procedure
Resolution | 37.151 - 2.000 |
Rwork | 0.396 |
R-free | 0.43540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.840 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | REFMAC (v8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.400 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 71307 | 6929 |
<I/σ(I)> | 4 | |
Completeness [%] | 94.8 | |
Redundancy | 99.1 | |
CC(1/2) | 0.910 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.3 | 293 | 34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3 |