6EQW
X-ray structure of the proprotein convertase furin bound with the competitive inhibitor 4-aminomethyl-phenylacetyl-Arg-Val-Arg-Amba
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 131.713, 131.713, 155.393 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.976 - 1.994 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jxh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.826 |
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] | 46.000 | 2.110 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.129 | 0.744 |
Rmeas | 0.140 | 0.808 |
Number of reflections | 54283 | 8600 |
<I/σ(I)> | 13.48 | 2.78 |
Completeness [%] | 99.3 | 99.4 |
Redundancy | 6.57 | |
CC(1/2) | 0.997 | 0.829 |
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, 3-4 M NaCL, 3% DMSO; RESERVOIR SOLUTION: 3-4M NaCL |