6HZB
X-ray structure of furin in complex with the cyclic inhibitor c[glutaryl-Arg-Arg-Lys]-Lys-4-Amba
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 | 131.616, 131.616, 155.565 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.081 - 1.900 |
| R-factor | 0.1654 |
| Rwork | 0.165 |
| R-free | 0.18240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eqv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.842 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.090 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.145 | 1.382 |
| Number of reflections | 61892 | 9814 |
| <I/σ(I)> | 20.11 | |
| Completeness [%] | 98.1 | 97.9 |
| Redundancy | 18.3 | 18.5 |
| CC(1/2) | 0.999 | 0.852 |
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, 3% DMSO; RESERVOIR SOLUTION: 3-4M NaCL |
