7A3C
Crystal structure of the c-Src SH3 domain mutant L100I 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 | 37.477, 92.399, 37.594 |
Unit cell angles | 90.00, 102.16, 90.00 |
Refinement procedure
Resolution | 19.560 - 1.800 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.22780 |
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] | 19.560 | 19.560 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.043 | 0.020 | 0.470 |
Rmeas | 0.054 | 0.025 | 0.591 |
Rpim | 0.032 | 0.015 | 0.354 |
Total number of observations | 361 | 1549 | |
Number of reflections | 33367 | 155 | 776 |
<I/σ(I)> | 7.1 | 18.4 | 1 |
Completeness [%] | 88.9 | 81.6 | 57.8 |
Redundancy | 2.3 | 2.3 | 2 |
CC(1/2) | 0.999 | 0.998 | 0.778 |
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 |