3OY6
The crystal structure of uPA complex with peptide inhibitor MH036 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 | 2010-06-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.091, 121.091, 43.332 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.050 - 2.310 |
| R-factor | 0.18526 |
| Rwork | 0.181 |
| R-free | 0.26262 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nwn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.217 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.051 | 0.060 |
| Number of reflections | 10358 | |
| <I/σ(I)> | 52.7 | 41.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 0.05M SODIUM CITRATE, 1.95M (NH4)2SO4, 0.05% NAN3, 5% PEG 400, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
