6BW8
Mcl-1 complexed with small molecules
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 | 2015-10-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.178, 135.397, 95.750 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.900 |
| R-factor | 0.238 |
| Rwork | 0.235 |
| R-free | 0.25060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zbf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.992 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.083 | 0.328 |
| Rmeas | 0.095 | 0.403 |
| Rpim | 0.046 | 0.227 |
| Number of reflections | 19873 | 846 |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 98.6 | 76 |
| Redundancy | 3.5 | 2.3 |
| CC(1/2) | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 20%-30% PEG3350, Magnesium chloride, Bis-Tris |
