7KEV
PCSK9 in complex with a cyclic peptide LDLR disruptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-12 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.225, 70.441, 149.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.640 - 2.800 |
R-factor | 0.2285 |
Rwork | 0.226 |
R-free | 0.28040 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2qtw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.014 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.656 | 2.828 |
High resolution limit [Å] | 2.800 | 2.818 |
Rmerge | 0.143 | 1.250 |
Rmeas | 0.164 | 0.990 |
Rpim | 0.076 | 0.652 |
Number of reflections | 15722 | 153 |
<I/σ(I)> | 10 | |
Completeness [%] | 87.1 | 94.4 |
Redundancy | 3.8 | 3.9 |
CC(1/2) | 0.994 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20.0% PEG-6000, 0.1M TRIS |