3TJ6
human vinculin head domain (Vh1, residues 1-258) in complex with the vinculin binding site of the surface cell antigen 4 (sca4-VBS-C; residues 812-835) from Rickettsia rickettsii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97867 |
Spacegroup name | I 21 3 |
Unit cell lengths | 141.373, 141.373, 141.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.710 - 2.760 |
R-factor | 0.1963 |
Rwork | 0.193 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rkc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | BUSTER (2.9.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 99.970 | 99.960 | 2.910 |
High resolution limit [Å] | 2.760 | 8.720 | 2.760 |
Rmerge | 0.059 | 0.490 | |
Number of reflections | 12290 | ||
<I/σ(I)> | 36.4 | 6.1 | |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 14.8 | 15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 2% (v/v) tacsimate (pH 5), 100 mM sodium citrate tribasic dihydrate (pH 5.6), 16% (w/v) polyethylene glycol (3,350), 20 mM Tris-HCl (pH 9), 150 mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 298K |