4Y9G
Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin
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 | 2013-05-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 43.009, 85.199, 64.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.150 - 1.890 |
| R-factor | 0.20588 |
| Rwork | 0.203 |
| R-free | 0.25838 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pwe |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.928 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.090 | 0.611 |
| Number of reflections | 17994 | |
| <I/σ(I)> | 21 | 1.9 |
| Completeness [%] | 91.7 | 88.2 |
| Redundancy | 6.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 16% PEG400, 0.1 M NaOAc, 0.2 M CaCl2 |
