5EXA
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.000, 83.090, 111.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.870 - 1.950 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.345 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 2.000 | ||
High resolution limit [Å] | 1.950 | 4.000 | 1.950 |
Rmerge | 0.045 | 0.027 | 0.414 |
Rmeas | 0.051 | 0.031 | 0.460 |
Total number of observations | 247516 | ||
Number of reflections | 49195 | 5946 | 3564 |
<I/σ(I)> | 21.35 | 44.72 | 4.29 |
Completeness [%] | 99.8 | 99.3 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.17 M ammonium acetate, 0.085 M sodium citrate pH 5.6, 25.5% (w/v) PEG 4000, 15% (v/v) glycerol. |