5EEL
Grb7 SH2 with bicyclic peptide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.228, 95.228, 241.566 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.720 - 2.470 |
R-factor | 0.188 |
Rwork | 0.185 |
R-free | 0.23200 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.015 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.720 |
High resolution limit [Å] | 2.470 |
Number of reflections | 40842 |
<I/σ(I)> | 16.84 |
Completeness [%] | 100.0 |
Redundancy | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 5% v/v Tacsimate pH 5.0, 8% w/v PEG 3350 |