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 |