6HLB
X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)4-Lys]-Arg-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 | 133.255, 133.255, 157.351 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.529 - 2.000 |
| R-factor | 0.1695 |
| Rwork | 0.169 |
| R-free | 0.18740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6eqv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.876 |
| 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] | 47.750 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.081 | 0.873 |
| Number of reflections | 55572 | 8733 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 98.7 | 97.5 |
| Redundancy | 6.7 | 6.7 |
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 |
