6XIF
PCSK9(deltaCRD) in complex with cyclic peptide 83
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 | 2020-02-12 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.330, 70.330, 164.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.910 - 1.774 |
| R-factor | 0.1875 |
| Rwork | 0.187 |
| R-free | 0.20370 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4nmx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| 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] | 60.910 | 1.840 |
| High resolution limit [Å] | 1.774 | 1.775 |
| Rmerge | 1.625 | |
| Number of reflections | 43322 | 2165 |
| <I/σ(I)> | 14.91 | 1.2 |
| Completeness [%] | 93.4 | |
| Redundancy | 9.8 | |
| CC(1/2) | 0.999 | 0.476 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG3350, 200mM CaCl2, 100mM MES pH 6 |
