7LCU
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-04 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.9785 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.994, 67.383, 88.632 |
Unit cell angles | 90.00, 122.70, 90.00 |
Refinement procedure
Resolution | 48.000 - 1.240 |
R-factor | 0.1773 |
Rwork | 0.176 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z2a |
RMSD bond length | 0.004 |
RMSD bond angle | 0.779 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4080) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 1.280 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 131144 | 13009 |
<I/σ(I)> | 15.6 | |
Completeness [%] | 96.0 | 96 |
Redundancy | 2 | |
CC(1/2) | 0.990 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | PEG8000, potassium dihydrogen phosphate |