4DJ9
Human vinculin head domain Vh1 (residues 1-258) in complex with the talin vinculin binding site 50 (VBS50, residues 2078-2099)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-06 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.540, 68.160, 137.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.800 - 2.250 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS ((VERSION December 6) |
Data scaling software | autoPROC |
Refinement software | BUSTER (2.13.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.800 | 2.258 |
High resolution limit [Å] | 2.250 | 2.251 |
Rmerge | 0.065 | 0.592 |
Number of reflections | 15637 | |
<I/σ(I)> | 16.4 | 3.3 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | The human vinculin Vh1 domain (residues 1 - 258) was generated as described.9 Crystallization screens of Vh1 protein and VBS50 mixed in 1:5 molar ratio were performed at two temperatures. Co-crystals were obtained from Hampton crystal screen I with a reservoir of 0.1 M Hepes pH 7.5, 10% w/v polyethylene glycol 6,000, and 5% 2-Methyl-2,4-pentanediol. Crystals were transferred directly from the initial 96-well screening plate into Paratone-N oil and flash-frozen in liquid nitrogen. , VAPOR DIFFUSION |