8JF3
C-Src in complex with compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CAMD BEAMLINE GCPCC |
| Synchrotron site | CAMD |
| Beamline | GCPCC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-09 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.716, 63.427, 73.649 |
| Unit cell angles | 101.21, 91.05, 90.16 |
Refinement procedure
| Resolution | 62.215 - 2.846 |
| R-factor | 0.278454516745 |
| Rwork | 0.274 |
| R-free | 0.31693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.665 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.230 | 2.940 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Number of reflections | 16792 | 16792 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 96.7 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.991 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 300 mM Sodium Acetate, 0.1 M MES pH 7.5, 4% PEG3350 |
