8ATR
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.873130 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.106, 113.239, 63.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.230 - 1.700 |
| R-factor | 0.18773 |
| Rwork | 0.187 |
| R-free | 0.21061 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iqu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.230 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 33236 | 1755 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.998 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |
