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 |