6RNU
BCL-XL in a complex with a covalent small molecule inhibitor
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 | 2016-02-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 96.590, 96.590, 86.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.200 - 2.400 |
R-factor | 0.205 |
Rwork | 0.202 |
R-free | 0.27500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.580 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 16564 | 1696 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 100.0 | |
Redundancy | 14.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M NaBr, 20% PEG 3350 |