4AQJ
Structure of human S100A7 D24G 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 | P 43 21 2 |
| Unit cell lengths | 51.480, 51.480, 117.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.760 - 1.600 |
| R-factor | 0.19081 |
| Rwork | 0.189 |
| R-free | 0.22532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aqj |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.533 |
| Data reduction software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.680 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 21100 | |
| <I/σ(I)> | 15.3 | 2.6 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 9.6 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M AMMONIUM SULFATE, 0.1M BISTRIS PH 5.5, 20-25% PEG 3350 |
