7ZRT
Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-01 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.315, 121.315, 42.817 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.680 - 1.800 |
| R-factor | 0.209 |
| Rwork | 0.208 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qn7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.655 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.680 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.140 | 0.820 |
| Number of reflections | 21768 | 21768 |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.3 | 293 | 7% PEG400, 50mM Citrato, 1.8 M (NH4)2SO4; 20% Ethylene glycol |
