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 |
