8G1T
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21
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 | 2015-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.363, 70.374, 62.784 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 45.817 - 2.092 |
| R-factor | 0.2079 |
| Rwork | 0.205 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.012 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.850 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.116 | 1.829 |
| Rmeas | 0.136 | 2.152 |
| Rpim | 0.071 | 1.125 |
| Total number of observations | 112776 | 8390 |
| Number of reflections | 30887 | 2408 |
| <I/σ(I)> | 8.4 | 1 |
| Completeness [%] | 99.1 | |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.997 | 0.269 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 1.44 M sodium citrate, 0.01 M TCEP |
