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 |