6DM8
Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.206, 104.153, 146.206 |
| Unit cell angles | 89.86, 89.80, 89.97 |
Refinement procedure
| Resolution | 29.966 - 2.700 |
| R-factor | 0.2458 |
| Rwork | 0.245 |
| R-free | 0.28810 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.721 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.773 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.089 | 0.371 |
| Rmeas | 0.115 | 0.488 |
| Rpim | 0.072 | 0.314 |
| Number of reflections | 123206 | 9265 |
| <I/σ(I)> | 8.83 | |
| Completeness [%] | 93.7 | 86.9 |
| Redundancy | 2.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG6000, Bicine |
