6XIC
PCSK9(deltaCRD) in complex with cyclic peptide 40
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 70.992, 70.992, 152.723 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.480 - 1.377 |
R-factor | 0.2037 |
Rwork | 0.203 |
R-free | 0.22140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4nmx |
RMSD bond length | 0.008 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.480 | 1.441 |
High resolution limit [Å] | 1.377 | 1.377 |
Number of reflections | 82968 | 4147 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 94.1 | |
Redundancy | 9.2 | |
CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG3350, 200mM CaCl2, 100mM MES pH 6 |