4QNQ
Crystal Structure Analysis of full-length Bcl-XL in complex with the inhibitor ABT-263
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-10 |
| Detector | PILATUS 6M |
| Wavelength(s) | 1.06997 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.140, 85.810, 93.640 |
| Unit cell angles | 72.94, 67.42, 69.38 |
Refinement procedure
| Resolution | 85.000 - 2.300 |
| R-factor | 0.20851 |
| Rwork | 0.206 |
| R-free | 0.25286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r2d |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.847 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.036 | 2.360 | |
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.104 | 0.055 | 0.540 |
| Number of reflections | 89549 | ||
| <I/σ(I)> | 6.89 | 19.59 | 1.39 |
| Completeness [%] | 97.4 | 97 | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) PEG 3350, 0.2 M Calcium Chloride, pH approx. 7.8, vapor diffusion, hanging drop, temperature 293K |
