7ZRR
Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
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 | 2021-05-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | H 3 |
| Unit cell lengths | 120.906, 120.906, 42.716 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.120 - 1.640 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qn7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.550 |
| 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] | 39.580 | 1.800 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.059 | 0.711 |
| Number of reflections | 28238 | 1430 |
| <I/σ(I)> | 8.5 | 1.1 |
| Completeness [%] | 99.3 | |
| Redundancy | 7.9 | |
| CC(1/2) | 0.997 | 0.317 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.3 | 293 | 5% PEG400, 50mM Citrato pH 4.3, 1.8 M (NH4)2SO4, 20% Ethylene glycol |
