4OS5
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.393, 53.934, 82.177 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.090 - 2.260 |
R-factor | 0.17308 |
Rwork | 0.172 |
R-free | 0.19958 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.421 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.090 | 45.090 | 2.380 |
High resolution limit [Å] | 2.260 | 7.150 | 2.260 |
Rmerge | 0.041 | 0.018 | 0.153 |
Number of reflections | 11300 | ||
<I/σ(I)> | 23.3 | 42.4 | 8.9 |
Completeness [%] | 100.0 | 99 | 97.9 |
Redundancy | 4.2 | 3.7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 21% PEG4000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |