8S9W
Murine S100A7/S100A15 in presence of calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.540, 68.400, 85.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.190 - 1.690 |
| R-factor | 0.18823 |
| Rwork | 0.186 |
| R-free | 0.23611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.534 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.160 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.070 | |
| Number of reflections | 21458 | 19412 |
| <I/σ(I)> | 15.7 | 1.65 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 13 | |
| CC(1/2) | 0.990 | 0.810 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M of Potassium thiocyanate, 20% PEG MME 2K and 0.01M L-Proline |
