8Y1S
in situ room temperature Laue crystallography
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL03HB |
| Synchrotron site | SSRF |
| Beamline | BL03HB |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-01-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.6-1.58 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.560, 78.560, 37.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.890 - 1.520 |
| R-factor | 0.2748 |
| Rwork | 0.270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2epe |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.256 |
| Data reduction software | LaueView (Laugen) |
| Data scaling software | LaueView (Laugen) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.139 | 1.817 |
| High resolution limit [Å] | 1.511 | 1.520 |
| Number of reflections | 15481 | 5521 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 79.7 | 68.4 |
| Redundancy | 1 | |
| CC(1/2) | 0.910 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 290 | Crystals were grown from NaCl as a crystallizing agent at pH 4.3 |
