7S5H
PCSK9(deltaCRD) in complex with cyclic peptide 35
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 | 2016-05-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.250, 72.487, 105.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.670 - 1.272 |
R-factor | 0.2057 |
Rwork | 0.206 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w2m |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.8 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.673 | 1.332 |
High resolution limit [Å] | 1.272 | 1.272 |
Number of reflections | 81048 | 4052 |
<I/σ(I)> | 11.9 | |
Completeness [%] | 95.3 | |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.606 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 20% PEG3350, 200mM CaCl2, 100mM MES pH 6 |