4Y9C
Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-21 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.91714 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.089, 85.624, 63.552 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.540 - 1.490 |
| R-factor | 0.20601 |
| Rwork | 0.204 |
| R-free | 0.24044 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pwe |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.109 | 0.445 |
| Number of reflections | 38146 | |
| <I/σ(I)> | 24.7 | 2.3 |
| Completeness [%] | 98.3 | 95.2 |
| Redundancy | 7.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 20% PEG400, 0.092 M MES, 0.1 M KBr |
