6HLE
X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.994211 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 133.095, 133.095, 157.563 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.566 - 1.994 |
| R-factor | 0.1679 |
| Rwork | 0.167 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eqv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.884 |
| 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] | 43.570 | 2.120 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.123 | 0.818 |
| Number of reflections | 56219 | 8795 |
| <I/σ(I)> | 11.15 | |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 5.5 | 5.5 |
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 |
