3I5R
PI3K SH3 domain in complex with a peptide ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 60.365, 60.365, 46.525 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.789 - 1.700 |
R-factor | 0.1836 |
Rwork | 0.182 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pht |
RMSD bond length | 0.008 |
RMSD bond angle | 1.254 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 22.790 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.047 |
Number of reflections | 11076 |
<I/σ(I)> | 26.5 |
Completeness [%] | 99.7 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 10.5 | 293 | 100mM CAPS, 2M ammonium sulfate, 0.2M lithium sulfate, pH 10.5, VAPOR DIFFUSION, temperature 293.0K |