8R9C
Multicopy-refined carboxymyoglobin photolysis time series at 23 mJ/cm2 laser fluence, 320 fs time delay
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SwissFEL ARAMIS BEAMLINE ESB |
| Synchrotron site | SwissFEL ARAMIS |
| Beamline | ESB |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-03-01 |
| Detector | PSI JUNGFRAU 16M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.100, 28.800, 35.800 |
| Unit cell angles | 90.00, 106.90, 90.00 |
Refinement procedure
| Resolution | 9.960 - 1.400 |
| R-factor | 0.1868 |
| Rwork | 0.184 |
| R-free | 0.22010 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.039 |
| Data reduction software | CrystFEL (0.8.0) |
| Data scaling software | CrystFEL (0.8.0) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.350 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Number of reflections | 25101 | 1925 |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | ammonium sulfate |
