3C1V
The 1.5 A Crystal structure of Ca2+-bound S100A4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 32 |
| Unit cell lengths | 52.320, 52.320, 139.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.310 - 1.500 |
| R-factor | 0.19627 |
| Rwork | 0.195 |
| R-free | 0.21796 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mho |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.965 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.102 | 0.448 |
| Number of reflections | 68427 | |
| <I/σ(I)> | 9.46 | 3.14 |
| Completeness [%] | 99.5 | 98.9 |
| Redundancy | 3.75 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 40% PEG600, 0.1M CHES, pH9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
