3S90
Human vinculin head domain Vh1 (residues 1-252) in complex with murine talin (VBS33; residues 1512-1546)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.830, 61.180, 71.420 |
| Unit cell angles | 83.27, 79.05, 69.79 |
Refinement procedure
| Resolution | 70.010 - 1.970 |
| R-factor | 0.1874 |
| Rwork | 0.186 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ibf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.13.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.010 | 1.980 |
| High resolution limit [Å] | 1.970 | 1.973 |
| Rmerge | 0.043 | 0.533 |
| Number of reflections | 51772 | |
| <I/σ(I)> | 14.2 | 2.3 |
| Completeness [%] | 96.7 | 95.9 |
| Redundancy | 2.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 277 | 0.1 M citrate 5.3, 15% (w/v) PEG 10K, 1.5% (v/v) dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
