4AQI
Structure of human S100A15 bound to zinc and calcium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 52.030, 33.470, 64.052 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 28.150 - 1.700 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.23045 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2psr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.321 |
| Data reduction software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.660 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 12285 | |
| <I/σ(I)> | 8.7 | 2.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 45-50 MM ZINC ACETATE DIHYDRATE, 18-20% PEG 3350 |
