6XVN
Crystal structure of c-Src SH3 domain without ATCUN motif: monomer 1
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) | 0.97911 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.303, 40.525, 43.451 |
Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
Resolution | 19.130 - 1.700 |
R-factor | 0.1561 |
Rwork | 0.154 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz4 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.130 | 19.130 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.052 | 0.032 | 0.196 |
Rmeas | 0.065 | 0.040 | 0.249 |
Rpim | 0.038 | 0.024 | 0.151 |
Total number of observations | 182 | 535 | |
Number of reflections | 15912 | 65 | 225 |
<I/σ(I)> | 12.8 | 24.4 | 4.1 |
Completeness [%] | 82.7 | 80 | 42 |
Redundancy | 2.7 | 2.8 | 2.4 |
CC(1/2) | 0.996 | 0.997 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 2.5 ammonium sulfate, 0.1 TRIS |