3NTH
Crystal structure of Tudor and Aubergine [R13(me2s)] complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 48.012, 48.012, 152.044 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| Rwork | 0.219 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ntk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.350 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 | 0.401 |
| Number of reflections | 4661 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 96.4 | 94.6 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 30% PEG8000, 0.2M sodium acetate trihytrate, 0.1M sodium cacodylate trihydrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
