4MNW
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.570, 53.960, 80.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.960 - 1.490 |
R-factor | 0.15554 |
Rwork | 0.155 |
R-free | 0.17111 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.164 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.760 | 1.570 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.132 | 0.183 |
Number of reflections | 36626 | |
<I/σ(I)> | 8.1 | 5.7 |
Completeness [%] | 97.7 | 98.4 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 22% PEG4000, 15% glycerol, 0.17 M ammonium sulfate, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |