6VWC
Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors
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 | PIXEL |
| Collection date | 2010-12-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.304, 94.584, 54.272 |
| Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
| Resolution | 47.290 - 1.604 |
| R-factor | 0.1798 |
| Rwork | 0.179 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qvx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.290 | 1.610 |
| High resolution limit [Å] | 1.604 | 1.604 |
| Rmerge | 0.049 | 0.358 |
| Number of reflections | 41362 | 295 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 94.2 | |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 290 | 30%(w/v) PEG 10,000, 0.1M Tris Hcl pH 8.5 |
