4PWJ
Crystal structure of V30M mutant human transthyretin complexed with nordihydroguaiaretic acid
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 | 2013-10-27 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.565, 85.391, 64.221 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.210 - 1.550 |
R-factor | 0.19957 |
Rwork | 0.198 |
R-free | 0.21944 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwe |
RMSD bond length | 0.009 |
RMSD bond angle | 1.371 |
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] | 33.210 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.069 | 0.460 |
Number of reflections | 32332 | |
<I/σ(I)> | 21.9 | 2.7 |
Completeness [%] | 95.9 | 91.7 |
Redundancy | 5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10-30% PEG400, 0.1M HEPES, 0.2M CaCl2, 8mM nordihydroguaiaretic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |