6XIE
PCSK9(deltaCRD) in complex with cyclic peptide 77
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 | 2015-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.875, 70.875, 166.304 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.380 - 1.430 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.22140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4nmx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| 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] | 61.380 | 1.505 |
| High resolution limit [Å] | 1.430 | 1.432 |
| Number of reflections | 80563 | 4027 |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 94.8 | |
| Redundancy | 9.8 | |
| CC(1/2) | 0.999 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG3350, 200mM CaCl2, 100mM MES pH 6 |
