6YBJ
Structure of MBP-Mcl-1 in complex with compound 3e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.930, 136.710, 38.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.1821 |
| Rwork | 0.179 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lof |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 2.400 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.177 | 1.560 |
| Rpim | 0.632 | |
| Number of reflections | 23098 | 1663 |
| <I/σ(I)> | 6.3 | 1.1 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 6.5 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M BisTris buffer pH 6.5, 20% PegMME5K |
