7LHB
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.362, 49.448, 89.359 |
| Unit cell angles | 90.00, 103.63, 90.00 |
Refinement procedure
| Resolution | 60.610 - 2.068 |
| R-factor | 0.2042 |
| Rwork | 0.203 |
| R-free | 0.23780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lvt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.810 |
| Data reduction software | XDS (Built 20191015) |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.610 | 2.104 |
| High resolution limit [Å] | 2.068 | 2.068 |
| Rmerge | 0.054 | |
| Number of reflections | 32544 | 1588 |
| <I/σ(I)> | 12.9 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.998 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% w/v PEG4000, 0.1 M Tris-HCl, pH 8.0, 0.2 M calcium chloride |
