4U2V
Bak BH3-in-Groove dimer (GFP)
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 | 2013-04-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.190, 63.840, 122.020 |
| Unit cell angles | 90.00, 98.35, 90.00 |
Refinement procedure
| Resolution | 19.997 - 2.300 |
| R-factor | 0.2009 |
| Rwork | 0.198 |
| R-free | 0.25020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bdu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.345 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.430 | |
| High resolution limit [Å] | 2.290 | 6.800 | 2.290 |
| Rmerge | 0.161 | 0.030 | 2.622 |
| Rmeas | 0.185 | 0.035 | 3.017 |
| Total number of observations | 307853 | ||
| Number of reflections | 74519 | 3001 | 11063 |
| <I/σ(I)> | 7.93 | 32.08 | 0.55 |
| Completeness [%] | 98.5 | 99 | 91.2 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 281 | 4.5% PEG 8000, 40% MPD, 100 mM tri-sodium citrate, 90 mM cacodylate acid pH 6.5 and 1% Octyl glucoside |
