9IG1
Crystal structure of Kalirin/Rac1 in complex with DK-652
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 62.280, 62.280, 339.670 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.940 - 1.650 |
| R-factor | 0.2683 |
| Rwork | 0.267 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.821 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.940 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.113 | |
| Number of reflections | 48732 | 2362 |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 17.7 | |
| CC(1/2) | 0.998 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M bis-tris pH 5.5, 0.2 M NaCl and 25% PEG 3350 |
