8QKG
PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125)
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 | 53.380, 55.160, 69.030 |
Unit cell angles | 69.20, 78.30, 74.75 |
Refinement procedure
Resolution | 30.750 - 1.538 |
R-factor | 0.1807 |
Rwork | 0.179 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
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] | 64.056 | 1.565 |
High resolution limit [Å] | 1.538 | 1.538 |
Number of reflections | 98435 | 9163 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 94.0 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.5 M LiSO4, 15% W/V PEG8000 |