5K89
Crystal Structure of Human Calcium-Bound S100A1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 53.547, 53.547, 193.387 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.644 - 2.249 |
| R-factor | 0.2754 |
| Rwork | 0.275 |
| R-free | 0.29050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y5i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.959 |
| Data reduction software | autoXDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.644 | 2.500 |
| High resolution limit [Å] | 2.250 | 2.370 |
| Rmerge | 1.538 | |
| Number of reflections | 14767 | |
| <I/σ(I)> | 14.45 | 0.5 |
| Completeness [%] | 92.0 | 83 |
| Redundancy | 5.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG 8000, calcium chloride, cacodylate |
