6QYK
Structure of MBP-Mcl-1 in complex with compound 7a
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 | 2017-04-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 97.545, 133.748, 37.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.300 |
| R-factor | 0.2213 |
| Rwork | 0.219 |
| R-free | 0.26630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lof |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.751 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.900 | 2.310 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.098 | 0.275 |
| Number of reflections | 23650 | |
| <I/σ(I)> | 7.9 | 2.9 |
| Completeness [%] | 98.7 | 95.6 |
| Redundancy | 3.9 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 284 | 25% PEG3350, 0.2M MAGNESIUM FORMATE, 1MM MALTOSE |
