6YD2
X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 131.506, 131.506, 155.243 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.050 - 1.800 |
| R-factor | 0.1584 |
| Rwork | 0.158 |
| R-free | 0.17710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jxh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.033 |
| 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] | 43.100 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.137 | 2.039 |
| Number of reflections | 72501 | 11497 |
| <I/σ(I)> | 19.2 | |
| Completeness [%] | 98.4 | |
| Redundancy | 17.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | CRYSTALLIZATION SOLUTION: 100MM MES, 200MM K/NAH2PO4, PH 5.5-6.0, 2 M NACL; RESERVOIR SOLUTION: 3-4M NACL |
