9PW6
Myeloid cell leukemia-1 (Mcl-1) complexed with compound 8
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.613, 87.678, 50.348 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 28.386 - 2.068 |
| Rwork | 0.189 |
| R-free | 0.25820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.832 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.386 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.078 | 0.357 |
| Rpim | 0.060 | 0.327 |
| Number of reflections | 18204 | 774 |
| <I/σ(I)> | 12.2 | 1.9 |
| Completeness [%] | 97.8 | 94 |
| Redundancy | 2.2 | 1.6 |
| CC(1/2) | 0.983 | 0.214 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 25-30% PEG 3350, 0.1 M Bis-TRIS pH 6.5, 0.2 M MgCl2 |
