6B4L
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.890, 82.929, 48.000 |
| Unit cell angles | 90.00, 117.50, 90.00 |
Refinement procedure
| Resolution | 42.580 - 2.250 |
| R-factor | 0.2203 |
| Rwork | 0.218 |
| R-free | 0.25820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
| Rmerge | 0.062 | 0.042 | 0.218 |
| Number of reflections | 12459 | 1591 | 291 |
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 79.7 | 99.3 | 18.9 |
| Redundancy | 3.2 | 3.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 277 | 18%(w/v)PEG 8000, 0.1M CHES pH 9.5, 4%(v/v) 2,2,2 trifluoroethanol |
