6UXM
Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
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 | 2015-11-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 |
Unit cell lengths | 46.700, 55.040, 56.500 |
Unit cell angles | 116.13, 109.67, 97.02 |
Refinement procedure
Resolution | 25.665 - 2.490 |
R-factor | 0.1922 |
Rwork | 0.187 |
R-free | 0.23720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u2v |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.14) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.665 | 25.665 | 2.550 |
High resolution limit [Å] | 2.490 | 11.130 | 2.490 |
Rmerge | 0.091 | 0.042 | 1.905 |
Rmeas | 0.096 | 0.045 | 2.026 |
Total number of observations | 146213 | ||
Number of reflections | 15495 | 147 | 1073 |
<I/σ(I)> | 15.03 | 35.44 | 1.28 |
Completeness [%] | 97.4 | 82.1 | 92 |
Redundancy | 9.436 | 7.993 | 8.806 |
CC(1/2) | 0.999 | 0.998 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | ammonium sulphate, PEG 10000, sodium acetate, bis-tris chloride |