7A39
Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0
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 | 2019-06-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.507, 40.546, 36.118 |
Unit cell angles | 90.00, 97.51, 90.00 |
Refinement procedure
Resolution | 19.440 - 1.650 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.21900 |
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 (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.440 | 19.440 | 1.680 |
High resolution limit [Å] | 1.650 | 9.040 | 1.650 |
Rmerge | 0.044 | 0.029 | 0.405 |
Rmeas | 0.051 | 0.033 | 0.514 |
Rpim | 0.026 | 0.017 | 0.310 |
Total number of observations | 209 | 1055 | |
Number of reflections | 20931 | 63 | 449 |
<I/σ(I)> | 9.3 | 21.5 | 1.5 |
Completeness [%] | 98.6 | 82.9 | 86 |
Redundancy | 3.5 | 3.3 | 2.3 |
CC(1/2) | 0.999 | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2M ammomium sulfate, 0.1M Hepes |