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 |