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 |