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 |