4X1P
The crystal structure of mupain-1-17 in complex with murinised human uPA at pH4.6
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 | 2011-10-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.082, 121.082, 43.242 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.1821 |
| Rwork | 0.181 |
| R-free | 0.21149 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.474 |
| Data reduction software | Coot |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.490 |
| Number of reflections | 38085 |
| <I/σ(I)> | 28.4 |
| Completeness [%] | 99.7 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.0M ammonium sulfate, 50mM sodium citrate pH 4.6, 5% PEG400 |
