8SPZ
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
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 | PIXEL |
Collection date | 2018-09-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.815, 88.065, 73.298 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.290 - 2.400 |
R-factor | 0.2758 |
Rwork | 0.269 |
R-free | 0.34050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.977 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.050 | 0.011 | 1.423 |
Rmeas | 0.057 | 0.013 | 1.608 |
Number of reflections | 13894 | 189 | 992 |
<I/σ(I)> | 16.42 | ||
Completeness [%] | 99.8 | ||
Redundancy | 4.4 | ||
CC(1/2) | 1.000 | 1.000 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.09 M DL maleate-MES-Tris pH 7, 2.25 M ammonium sulfate, 0.1 M trisodium citrate |