9IGH
Structure of human Bcl-xL in complex with small molecule inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.620, 68.240, 60.050 |
| Unit cell angles | 90.00, 96.21, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.950 |
| R-factor | 0.21733 |
| Rwork | 0.215 |
| R-free | 0.25755 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.681 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.240 | 1.870 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.073 | 0.876 |
| Rmeas | 0.099 | |
| Rpim | 0.057 | 0.699 |
| Number of reflections | 23909 | 1776 |
| <I/σ(I)> | 6.6 | 1 |
| Completeness [%] | 98.5 | |
| Redundancy | 2.8 | 2.9 |
| CC(1/2) | 0.996 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 284 | 0.1 M KSCN, 0.1 M Na acetate buffer pH 5.5, 10% Peg8k, 10% Peg1k |
