7NG7
Src kinase bound to eCF506 trapped in inactive conformation
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 | 2018-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.778, 62.594, 51.442 |
| Unit cell angles | 90.00, 98.00, 90.00 |
Refinement procedure
| Resolution | 41.410 - 1.500 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mxo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.539 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 0.763 |
| Rpim | 0.043 | 0.493 |
| Number of reflections | 41802 | 2933 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 99.4 | 99.52 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.998 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 6% PEG3350, 300mM Ammonium acetate, 0.1M HEPES pH7.5, 10mM TCEP |
