5U06
Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic
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 | 2016-10-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.980, 109.741, 48.330 |
Unit cell angles | 90.00, 103.44, 90.00 |
Refinement procedure
Resolution | 35.740 - 2.100 |
R-factor | 0.2153 |
Rwork | 0.206 |
R-free | 0.25260 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.716 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.740 |
High resolution limit [Å] | 2.100 |
Number of reflections | 28374 |
<I/σ(I)> | 5.1 |
Completeness [%] | 99.9 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, KSCN, BTP |