6PY0
Crystal Structure of mouse Serum Amyloid A3 (SAA3) bound with Retinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.242, 75.749, 89.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.726 - 2.204 |
R-factor | 0.2196 |
Rwork | 0.218 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.053 | 0.038 | 0.826 |
Rmeas | 0.057 | 0.041 | 0.911 |
Rpim | 0.019 | 0.014 | 0.371 |
Total number of observations | 155009 | ||
Number of reflections | 18610 | 1044 | 870 |
<I/σ(I)> | 9.3 | ||
Completeness [%] | 98.7 | 98.8 | 95 |
Redundancy | 8.3 | 8.3 | 5.2 |
CC(1/2) | 0.999 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M trisodium citrate, 0.1 M HEPES, pH 7.5, 6% PEG6000, 10% isopropanol |