7LH7
Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9765 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 58.860, 88.910, 151.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.690 - 1.409 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.19860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vwc |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.690 | 1.433 |
High resolution limit [Å] | 1.409 | 1.409 |
Number of reflections | 76281 | 3793 |
<I/σ(I)> | 17.8 | |
Completeness [%] | 99.1 | |
Redundancy | 7.1 | |
CC(1/2) | 1.000 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 4.2 | 290 | 20% (w/v) PEG 8000, 0.1 M phosphate-citrate pH 4.2, 0.2 M sodium chloride. The method was liquid-liquid counter diffusion |