7QLO
rsKiiro pump dump probe structure by TR-SFX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.305 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.340, 74.010, 78.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.990 - 1.310 |
| R-factor | 0.41867 |
| Rwork | 0.417 |
| R-free | 0.45237 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oqe |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.655 |
| Data reduction software | CrystFEL |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.000 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Number of reflections | 51252 | 172 |
| <I/σ(I)> | 4.566 | |
| Completeness [%] | 100.0 | |
| Redundancy | 157 | |
| CC(1/2) | 0.990 | 0.050 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 0.2 M LITHIUM SULFATE 0.1 M TRIS-CL PH 8.5 23-30% PEG 3350 |
