2Q91
Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.7 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 52.424, 52.424, 140.419 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.160 - 1.630 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21700 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.504 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.096 | 0.580 |
| Number of reflections | 28584 | |
| <I/σ(I)> | 10.5 | 2.5 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 10.1 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.05M ammonium sulfate, 0.05M Bis-Tris, 27.5% pentaethythritol-pthoxylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
