7B3H
Notum complex with ARUK3003909
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.313, 72.909, 77.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.010 - 1.280 |
| R-factor | 0.1955 |
| Rwork | 0.195 |
| R-free | 0.20380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7arg |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.210 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Number of reflections | 87738 | 4351 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13 | |
| CC(1/2) | 1.000 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.2 | 296 | 1.5 M Ammonium Sulphate 0.1 M Sodium Citrate |
