3MK8
The MCL-1 BH3 Helix is an Exclusive MCL-1 Inhibitor and Apoptosis Sensitizer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2008-06-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.541800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.505, 56.866, 63.984 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.505 - 2.321 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Chain A (MCL-1) of 3KJ0 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.591 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Number of reflections | 7405 | |
| <I/σ(I)> | 13.6 | 4.8 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG MME 2000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
