8EL1
Structure of MBP-Mcl-1 in complex with ABBV-467
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.375, 79.617, 137.849 |
| Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
| Resolution | 45.630 - 2.406 |
| R-factor | 0.2016 |
| Rwork | 0.197 |
| R-free | 0.29070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wms |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS (20210205) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.848 | 2.749 |
| High resolution limit [Å] | 2.406 | 2.406 |
| Rmerge | 0.068 | 0.522 |
| Number of reflections | 44489 | 2225 |
| <I/σ(I)> | 10.3 | 2.1 |
| Completeness [%] | 87.9 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | 25% (w/v) PEG 1500, 0.1 M MIB pH 6.0 (MIB is sodium malonate dibasic monohydrate, imidazole, boric acid) |
