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 |