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. |