5WXS
Crystal structure of uPA in complex with S2444
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | H 3 |
Unit cell lengths | 120.435, 120.435, 42.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.790 - 2.300 |
R-factor | 0.189 |
Rwork | 0.185 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dva |
RMSD bond length | 0.010 |
RMSD bond angle | 1.343 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | |
High resolution limit [Å] | 2.300 | |
Rmerge | 0.037 | 0.451 |
Number of reflections | 9998 | |
<I/σ(I)> | 27.5 | |
Completeness [%] | 99.7 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50mM sodium citrate, pH 4.6, 2.0M ammonium sulfate supplemented with 5% polyethylene glycol 400 |