4U2U
Bak domain swapped dimer induced by BidBH3 with CHAPS
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 | 2013-08-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953726 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.646, 39.482, 88.147 |
Unit cell angles | 90.00, 117.71, 90.00 |
Refinement procedure
Resolution | 48.980 - 2.900 |
R-factor | 0.2142 |
Rwork | 0.209 |
R-free | 0.26270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ims |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.980 | 3.070 | |
High resolution limit [Å] | 2.900 | 8.570 | 2.900 |
Rmerge | 0.227 | 0.034 | 1.083 |
Rmeas | 0.267 | 0.041 | 1.269 |
Total number of observations | 28181 | ||
Number of reflections | 7712 | 333 | 1193 |
<I/σ(I)> | 6.33 | 27.71 | 1.31 |
Completeness [%] | 98.7 | 98.2 | 95.5 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 26.7% PEG 3350, 0.05 M sodium acetate |