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 |