4X1R
The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.177, 121.177, 42.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.010 - 2.100 |
| R-factor | 0.21327 |
| Rwork | 0.210 |
| R-free | 0.27282 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nwn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.285 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 13394 |
| <I/σ(I)> | 29.4 |
| Completeness [%] | 98.9 |
| Redundancy | 3.4 |
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% PEG 400 |
