6MK0
Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 129.406, 129.406, 305.535 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.094 - 3.005 |
| R-factor | 0.2231 |
| Rwork | 0.222 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ije |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.136 | |
| Rmeas | 0.145 | |
| Number of reflections | 59916 | 5883 |
| <I/σ(I)> | 23.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 | |
| CC(1/2) | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Sodium Acetate pH 4.5, 800 mM Sodium Cholride, 12% PEG 4000. |
