7A2U
Crystal structure of the Fyn SH3 domain L112V-S114N-S115T at pH 4.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 61 |
Unit cell lengths | 46.039, 46.039, 58.898 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.940 - 1.700 |
R-factor | 0.1642 |
Rwork | 0.162 |
R-free | 0.19960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ua6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.389 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3951) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.940 | 19.940 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.072 | 0.033 | 0.497 |
Rmeas | 0.078 | 0.037 | 0.620 |
Rpim | 0.031 | 0.015 | 0.361 |
Total number of observations | 300 | 836 | |
Number of reflections | 14723 | 55 | 356 |
<I/σ(I)> | 13.9 | 34.4 | 1.6 |
Completeness [%] | 98.8 | 90.9 | 88.1 |
Redundancy | 5.7 | 5.5 | 2.3 |
CC(1/2) | 0.999 | 0.999 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 1.5 M ammonium sulfate, 0.1 sodium acetate |