3NG5
Crystal Structure of V30M transthyretin complexed with (-)-epigallocatechin gallate (EGCG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 86.074, 44.189, 65.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.657 - 1.700 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bmz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.277 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.423 |
| Number of reflections | 28169 | |
| <I/σ(I)> | 75.2 | 6.8 |
| Completeness [%] | 99.7 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.3 | 293 | 200MM CITRATE, 3M AMMONIUM SULFATE, pH 5.3, EVAPORATION, temperature 293K |
