8BX4
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.03320 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.967, 112.681, 62.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.340 - 1.600 |
| R-factor | 0.164 |
| Rwork | 0.162 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | DIALS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.630 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 38652 | 1905 |
| <I/σ(I)> | 25 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.998 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (25% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
