4Y9B
Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin
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 | 2013-06-15 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.633, 85.365, 64.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.600 - 1.400 |
R-factor | 0.19383 |
Rwork | 0.192 |
R-free | 0.23546 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwe |
RMSD bond length | 0.015 |
RMSD bond angle | 1.815 |
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] | 100.000 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.700 | |
Number of reflections | 48115 | |
<I/σ(I)> | 26.7 | 1.8 |
Completeness [%] | 99.3 | 98.2 |
Redundancy | 5.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 16% PEG400, 0.1M NaOAc, 0.2 M CaCl2 |