8BYD
fragment-linked stabilizer for ERa - 14-3-3 interactions (1075288)
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 | 2020-08-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.810, 112.190, 62.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.090 - 1.600 |
| R-factor | 0.1695 |
| Rwork | 0.168 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.120 |
| 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] | 62.320 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 38194 | 1859 |
| <I/σ(I)> | 33.9 | |
| Completeness [%] | 100.0 | |
| Redundancy | 12.8 | |
| CC(1/2) | 0.999 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (29% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
