8R91
Multicopy-refined carboxymyoglobin photolysis time series at 5 mJ/cm2 laser fluence, 627 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 | 2019-05-01 |
| Detector | PSI JUNGFRAU 16M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.000, 28.400, 35.300 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 9.950 - 1.400 |
| R-factor | 0.1931 |
| Rwork | 0.191 |
| R-free | 0.22490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.211 |
| 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 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 10023846 | 2188 |
| <I/σ(I)> | 3.2 | 1.2 |
| Completeness [%] | 99.7 | |
| Redundancy | 122 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 3.1 M ammonium sulfate |
