7T1U
Crystal structure of a superbinder Src SH2 domain (sSrcF) in complex with a high affinity phosphopeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 34.870, 35.890, 53.980 |
Unit cell angles | 75.85, 74.77, 61.42 |
Refinement procedure
Resolution | 51.570 - 2.650 |
R-factor | 0.2237 |
Rwork | 0.218 |
R-free | 0.27020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f5a |
RMSD bond length | 0.007 |
RMSD bond angle | 1.033 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.570 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.111 | 0.286 |
Number of reflections | 5824 | 729 |
<I/σ(I)> | 4.9 | 2.6 |
Completeness [%] | 86.3 | 88.7 |
Redundancy | 2.1 | 2.1 |
CC(1/2) | 0.989 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 80 uM Zinc Acetate, 12% PEG3350, 100 mM Sodium Acetate (pH 4.0), and 2% 1,3-butanediol |