6A8O
Crystal structures of the serine protease domain of murine plasma kallikrein with peptide inhibitor mupain-1-16
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 | 2014-12-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.260, 82.450, 105.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.660 - 2.770 |
R-factor | 0.217 |
Rwork | 0.212 |
R-free | 0.30000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2any |
RMSD bond length | 0.008 |
RMSD bond angle | 1.642 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.660 | 2.870 |
High resolution limit [Å] | 2.770 | 2.770 |
Rmerge | 0.090 | 0.090 |
Rpim | 0.039 | |
Number of reflections | 16315 | |
<I/σ(I)> | 15.73 | 15.73 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG 3350 |