7QWA
CC-Type2-(UgUe)4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.8610 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.965, 36.213, 45.491 |
| Unit cell angles | 90.00, 96.74, 90.00 |
Refinement procedure
| Resolution | 61.550 - 1.540 |
| R-factor | 0.2285 |
| Rwork | 0.227 |
| R-free | 0.26590 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.428 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.550 | 1.595 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.207 | 1.243 |
| Rmeas | 0.216 | 1.298 |
| Rpim | 6156.000 | 0.369 |
| Number of reflections | 30032 | 2966 |
| <I/σ(I)> | 5.73 | 0.39 |
| Completeness [%] | 99.7 | 99.66 |
| Redundancy | 12.3 | 12.3 |
| CC(1/2) | 0.995 | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 1.5 mM pepide, 1.5 M Sodium chloride, 50 mM BIS-Tris at pH 5.5. |
