6YD4
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba
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 | 2019-10-11 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 131.685, 131.685, 155.499 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.980 - 1.700 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jxh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.973 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.117 | 1.970 |
| Number of reflections | 87466 | 13868 |
| <I/σ(I)> | 22.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 20.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | CRYSTALLIZATION SOLUTION: 100MM MES, 200MM K/NAH2PO4, PH 5.5-6.0, 2 M NACL; RESERVOIR SOLUTION: 3-4M NACL |
