8QKJ
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 |
Unit cell lengths | 53.360, 55.130, 69.170 |
Unit cell angles | 68.79, 78.31, 74.92 |
Refinement procedure
Resolution | 25.770 - 1.767 |
R-factor | 0.1862 |
Rwork | 0.185 |
R-free | 0.20230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.950 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.016 | 1.797 |
High resolution limit [Å] | 1.767 | 1.767 |
Number of reflections | 65557 | 3174 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 94.9 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |