7A32
Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S 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 | 2017-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.853, 87.853, 56.028 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.750 - 1.150 |
| R-factor | 0.1539 |
| Rwork | 0.153 |
| R-free | 0.17330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jz4 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.030 | 56.030 | 1.180 |
| High resolution limit [Å] | 1.120 | 3.540 | 1.120 |
| Rmerge | 0.036 | 0.024 | 0.842 |
| Rmeas | 0.038 | 0.026 | 0.913 |
| Rpim | 0.012 | 0.008 | 0.346 |
| Total number of observations | 30081 | 92529 | |
| Number of reflections | 171268 | 3208 | 13784 |
| <I/σ(I)> | 22.7 | 85.2 | 1.7 |
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 9.3 | 9.4 | 6.7 |
| CC(1/2) | 1.000 | 0.999 | 0.704 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.5 M ammonium sulfate, 0.1M Hepes |
