3E6Y
Structure of 14-3-3 in complex with the differentiation-inducing agent Cotylenin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.800, 141.900, 51.400 |
| Unit cell angles | 90.00, 114.10, 90.00 |
Refinement procedure
| Resolution | 14.950 - 2.500 |
| R-factor | 0.19965 |
| Rwork | 0.195 |
| R-free | 0.28544 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o9c |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.074 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.051 | 0.214 |
| Number of reflections | 18639 | |
| <I/σ(I)> | 28.7 | 6.3 |
| Completeness [%] | 98.2 | 98.2 |
| Redundancy | 3.72 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 277 | 0.1M Na citrate, 24% PEG 4000, 6% isopropanol, 5 mM MgCl2, 2 mM DTT, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
