5UA4
Crystal structure of A179L:Bid BH3 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.761, 48.778, 56.535 |
| Unit cell angles | 90.00, 104.98, 90.00 |
Refinement procedure
| Resolution | 39.110 - 2.600 |
| R-factor | 0.2183 |
| Rwork | 0.216 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.868 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.110 | 2.693 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.073 | 0.353 |
| Number of reflections | 5150 | |
| <I/σ(I)> | 8 | 2.5 |
| Completeness [%] | 92.2 | 94 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 27.5% (w/v) PEG 4000, 0.11 M, Ammonium sulphate and 0.1 M Sodium cacodylate pH 5.6 |
