7PVZ
Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant
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 | 2018-05-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97898 |
Spacegroup name | P 64 |
Unit cell lengths | 48.788, 48.788, 90.930 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.160 - 2.000 |
R-factor | 0.2319 |
Rwork | 0.231 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4le9 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.160 | 19.160 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.042 | 0.046 | 0.660 |
Rmeas | 0.044 | 0.049 | 0.695 |
Rpim | 0.014 | 0.017 | 0.215 |
Total number of observations | 83456 | 799 | 6392 |
Number of reflections | 8339 | 92 | 619 |
<I/σ(I)> | 24.2 | 54.5 | 3.6 |
Completeness [%] | 99.9 | 90.1 | 100 |
Redundancy | 10 | 8.7 | 10.3 |
CC(1/2) | 0.998 | 0.996 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1.5 M ammonium sulfate, 5 % PEG 300, 0.1M AcONa |