3R85
Crystal structure of human SOUL BH3 domain in complex with Bcl-xL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9769 |
| Spacegroup name | P 43 |
| Unit cell lengths | 66.830, 66.830, 175.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.737 - 1.950 |
| R-factor | 0.2143 |
| Rwork | 0.211 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.124 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.100 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.073 | 0.320 |
| Number of reflections | 54709 | |
| <I/σ(I)> | 17.6 | 6 |
| Completeness [%] | 98.0 | 96.5 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M sodium sulphate, 15% PEG 6000, 0.3M 1-butyl-3-methylimidazolium 2-(2-methoxyethoxy)ethyl sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
