6YD3
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-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 | 131.561, 131.561, 155.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.060 - 2.000 |
R-factor | 0.1608 |
Rwork | 0.160 |
R-free | 0.18540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jxh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.049 |
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 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.214 | 1.398 |
Number of reflections | 52910 | 8463 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 97.9 | |
Redundancy | 17.1 |
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 |