6BW2
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 | 2015-06-10 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.284, 134.369, 96.561 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 29.726 - 2.750 |
| R-factor | 0.2468 |
| Rwork | 0.245 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zbf |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.694 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.860 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.088 | 0.364 |
| Rpim | 0.047 | 0.240 |
| Number of reflections | 25203 | 2501 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 96.7 | 87 |
| Redundancy | 4.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 20%-30% PEG 3350, Magnesium chloride, Bis-Tris |
