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 |
