3RDH
X-ray induced covalent inhibition of 14-3-3
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 | 2008-10-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97926 |
Spacegroup name | P 65 |
Unit cell lengths | 94.745, 94.745, 237.862 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.770 - 2.390 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.28650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 2O02 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.770 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.114 | 0.722 |
Number of reflections | 47706 | |
<I/σ(I)> | 12.5 | 1.8 |
Completeness [%] | 99.2 | 100 |
Redundancy | 5 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 25% PEG3350, 100 mM Tris-HCl pH 8.5, 10 mM MgCl2, 1 mM NiCl2, 1% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K |