7O1Y
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-07 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 131.058, 131.058, 156.451 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.940 - 1.700 |
R-factor | 0.1629 |
Rwork | 0.162 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jxg |
RMSD bond length | 0.009 |
RMSD bond angle | 0.970 |
Data reduction software | XDS (XDS VERSION Mar 15, 2019) |
Data scaling software | XDS (XDS VERSION Mar 15, 2019) |
Phasing software | PHENIX (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.400 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.112 | 1.931 |
Number of reflections | 86405 | 13662 |
<I/σ(I)> | 15.08 | 1.26 |
Completeness [%] | 99.1 | |
Redundancy | 7.7 | |
CC(1/2) | 0.999 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | CRYSTALLIZATION SOLUTION: 100mM MES, 200mM K/NAH2PO4, PH 5.5, 2 M NACL; RESERVOIR SOLUTION: 3.0-3.2M NACL |