6KD5
Crystal structure of the extracellular domain of MSPL/TMPRSS13 in complex with dec-RVKR-cmk inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-10 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.840, 62.400, 171.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.990 - 2.600 |
| R-factor | 0.18801 |
| Rwork | 0.184 |
| R-free | 0.23567 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2any |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.191 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.151 | 1.012 |
| Rmeas | 0.175 | 1.174 |
| Rpim | 0.088 | 0.593 |
| Number of reflections | 19249 | 2303 |
| <I/σ(I)> | 9.5 | 2.2 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 7.2 | 7.3 |
| CC(1/2) | 0.995 | 0.729 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 288 | 0.1M HEPES(pH7.5), 2.4M Ammonium Sulfate |
