5GJI
PI3K p85 N-terminal SH2 domain/CD28-derived peptide complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2014-05-13 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 |
Unit cell lengths | 27.590, 31.240, 32.250 |
Unit cell angles | 73.28, 85.38, 71.73 |
Refinement procedure
Resolution | 30.884 - 0.900 |
R-factor | 0.1268 |
Rwork | 0.126 |
R-free | 0.14460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.387 |
Data reduction software | XDS (March 1, 2015) |
Data scaling software | XSCALE (March 1, 2015) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.900 | 0.950 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.055 | 0.342 |
Number of reflections | 65076 | |
<I/σ(I)> | 18.1 | 4 |
Completeness [%] | 89.5 | 81.1 |
Redundancy | 5.5 | 3.9 |
CC(1/2) | 0.999 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100mM Sodium acetate trihydrate, 30% PEG MME 2000, 200mM Ammonium sulfate |