6U2P
PCSK9 in complex with compound 5
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 | 2011-02-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.851, 70.647, 149.345 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.420 - 2.040 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 149.350 | 2.150 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.089 | 0.500 |
Number of reflections | 43126 | 6224 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 100.0 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 303 | (10-22)% PEG 10000, 0.1M Tris, pH 8.5, 10% Ethylene Glycol, 1% BAM |