4J9I
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-26 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 88.029, 88.029, 45.801 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.840 - 2.200 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2o88 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.121 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.227 | 2.080 |
High resolution limit [Å] | 1.999 | 1.980 |
Rmerge | 0.157 | 0.013 |
Number of reflections | 14549 | |
<I/σ(I)> | 14.32 | 2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 15.9 | 7.28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 2.8 M ammonium sulphate, 5% PEG300, 0.1 M LiCl, 0.1 M Hepes, capillary, pH 7, LIQUID DIFFUSION, temperature 298K |