7AMA
IL-17A in complex with small molecule modulators
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.360, 85.200, 118.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.840 - 2.480 |
R-factor | 0.21262 |
Rwork | 0.210 |
R-free | 0.25469 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.988 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.840 | 2.520 |
High resolution limit [Å] | 2.480 | 2.480 |
Number of reflections | 12251 | 579 |
<I/σ(I)> | 24 | |
Completeness [%] | 98.9 | |
Redundancy | 6.79 | |
CC(1/2) | 1.000 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 10 000, isopropanol, sodium citrate |