7AMG
IL-17A in complex with small molecule modulators
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 165.006, 119.043, 54.290 |
Unit cell angles | 90.00, 90.54, 90.00 |
Refinement procedure
Resolution | 28.860 - 3.180 |
R-factor | 0.20461 |
Rwork | 0.204 |
R-free | 0.22704 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hr9 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.042 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.870 | 3.400 |
High resolution limit [Å] | 3.180 | 3.180 |
Rmerge | 0.098 | 1.184 |
Number of reflections | 17232 | 2973 |
<I/σ(I)> | 9.2 | |
Completeness [%] | 97.8 | |
Redundancy | 2.9 | |
CC(1/2) | 0.997 | 0.338 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 10000, isopropanol, sodium citrate |