8R8J
Ensemble-refined carboxymyoglobin photolysis power titration, 101 mJ/cm2
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 | 64.100, 28.800, 35.800 |
| Unit cell angles | 90.00, 106.90, 90.00 |
Refinement procedure
| Resolution | 9.960 - 1.400 |
| R-factor | 0.1838 |
| Rwork | 0.181 |
| R-free | 0.21740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.047 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Number of reflections | 25078 | 2445 |
| <I/σ(I)> | 4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 105 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 3.1 M ammonium sulfate |
