3U9X
Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.220, 112.140, 62.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.540 - 1.800 |
| R-factor | 0.1357 |
| Rwork | 0.133 |
| R-free | 0.18810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.584 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.540 | 2.000 | |
| High resolution limit [Å] | 1.800 | 12.000 | 1.800 |
| Rmerge | 0.045 | 0.045 | 0.077 |
| Number of reflections | 26966 | 104 | 7058 |
| <I/σ(I)> | 35.76 | 27.53 | 16.03 |
| Completeness [%] | 99.0 | 88.1 | 97 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.095M HEPES Na, 26.6% PEG400, 0.1M Calcium chloride, 5% Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
