6UXQ
Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4
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 | 2016-07-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.318, 150.086, 51.749 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.025 - 1.696 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uxo |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.15-3459) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.025 | 43.025 | 1.800 |
High resolution limit [Å] | 1.696 | 5.060 | 1.700 |
Rmerge | 0.104 | 0.039 | 1.596 |
Rmeas | 0.112 | 0.042 | 1.720 |
Number of reflections | 36562 | 1503 | 5642 |
<I/σ(I)> | 11.7 | 35.15 | 1.47 |
Completeness [%] | 99.2 | 99.1 | 95.9 |
Redundancy | 7.195 | 6.671 | 7.123 |
CC(1/2) | 0.998 | 0.999 | 0.659 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | ammonium sulphate, trisodium citrate, tetraethylene glycol monooctyl ether, 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine |