7A3A
Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
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 | 2019-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 46.771, 46.771, 126.494 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.1899 |
Rwork | 0.189 |
R-free | 0.20490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jz3 |
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] | 20.000 | 20.000 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.037 | 0.019 | 0.585 |
Rmeas | 0.040 | 0.022 | 0.635 |
Rpim | 0.017 | 0.010 | 0.245 |
Total number of observations | 342 | 2894 | |
Number of reflections | 14262 | 87 | 446 |
<I/σ(I)> | 21.4 | 46.2 | 3 |
Completeness [%] | 99.7 | 90.1 | 99.6 |
Redundancy | 6 | 3.9 | 6.5 |
CC(1/2) | 0.999 | 1.000 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.5M ammonium sulfate, 0.1M MES, 5% PEG300 |