6NF1
Vav1 inhibited by an allosteric inhibitor: Vav1 inhibitors block GEF activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9774 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.134, 57.742, 89.419 |
Unit cell angles | 90.00, 103.06, 90.00 |
Refinement procedure
Resolution | 48.130 - 2.600 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6new |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.3) |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.130 | 2.900 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.090 | 0.705 |
Rmeas | 0.097 | 0.758 |
Rpim | 0.036 | 0.276 |
Number of reflections | 20808 | 5866 |
<I/σ(I)> | 14.9 | |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 7.4 | 7.5 |
CC(1/2) | 0.999 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 294 | 16-22% (v/v) Ethylene Glycol, 0.1M TRIS pH 7.3, and 15% (w/v) Polyethylene Glycol 8000. |