5UA5
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 | 2015-07-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9573 |
| Spacegroup name | P 61 |
| Unit cell lengths | 94.126, 94.126, 40.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.510 - 2.500 |
| R-factor | 0.2474 |
| Rwork | 0.246 |
| R-free | 0.26810 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.544 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.510 | 2.550 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.050 | 0.122 |
| Number of reflections | 7316 | |
| <I/σ(I)> | 21.1 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 1.6 M Ammonium Sulphate, 0.1M Sodium acetate pH 4.2 |
