7VUT
Crystal structure of AlleyCat10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2020-05-01 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 27.313, 50.499, 88.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 12.500 - 1.700 |
| R-factor | 0.1996 |
| Rwork | 0.197 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.741 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.500 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.081 | 0.207 |
| Rpim | 0.058 | 0.162 |
| Number of reflections | 13978 | 701 |
| <I/σ(I)> | 10 | 2.4 |
| Completeness [%] | 99.3 | |
| Redundancy | 4.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MPD, HEPES, calcium chloride, sodium chloride |
