8SPE
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
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 | 2015-09-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 31 |
| Unit cell lengths | 141.355, 141.355, 110.191 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.430 - 2.300 |
| R-factor | 0.2294 |
| Rwork | 0.229 |
| R-free | 0.25620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.676 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.270 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.111 | 1.788 |
| Rmeas | 0.122 | 1.973 |
| Rpim | 0.051 | 0.829 |
| Total number of observations | 28318 | |
| Number of reflections | 108680 | 5174 |
| <I/σ(I)> | 10.9 | 1.1 |
| Completeness [%] | 99.8 | |
| Redundancy | 5.7 | 5.5 |
| CC(1/2) | 0.998 | 0.464 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate |
