7A33
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0
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 | 2018-05-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 23.203, 63.262, 30.073 |
Unit cell angles | 90.00, 95.65, 90.00 |
Refinement procedure
Resolution | 19.220 - 0.960 |
R-factor | 0.1194 |
Rwork | 0.119 |
R-free | 0.13410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz4 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.220 | 19.220 | 0.970 |
High resolution limit [Å] | 0.960 | 5.240 | 0.960 |
Rmerge | 0.044 | 0.028 | 0.416 |
Rmeas | 0.053 | 0.034 | 0.529 |
Rpim | 0.029 | 0.018 | 0.323 |
Total number of observations | 1065 | 4972 | |
Number of reflections | 91360 | 327 | 2144 |
<I/σ(I)> | 15.8 | 35.9 | 2.9 |
Completeness [%] | 94.7 | 95.7 | 81 |
Redundancy | 3.2 | 3.3 | 2.3 |
CC(1/2) | 0.998 | 0.999 | 0.667 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3 | 298 | 5 mM beta-cyclodextrin, 1.5 M ammomium sulfate, 0.1M sodium citrate |