5WXP
Crystal structure of uPA in complex with upain-2-3-W3A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | H 3 |
Unit cell lengths | 120.821, 120.821, 42.278 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.230 - 1.750 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.24900 |
Starting model (for MR) | 4dva |
RMSD bond length | 0.008 |
RMSD bond angle | 1.219 |
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] | 1.750 | |
Rmerge | 0.069 | 0.788 |
Number of reflections | 22375 | |
<I/σ(I)> | 36.4 | |
Completeness [%] | 97.1 | |
Redundancy | 3.5 |
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 |