4PWI
Crystal structure of V30M mutant human transthyretin complexed with rosmarinic acid
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 | 2013-11-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.150, 85.726, 63.774 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.449 - 1.494 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwe |
RMSD bond length | 0.007 |
RMSD bond angle | 1.195 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.8_1069) |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.449 | 1.530 |
High resolution limit [Å] | 1.494 | 1.500 |
Rmerge | 0.085 | 0.453 |
Number of reflections | 36479 | |
<I/σ(I)> | 25.7 | 2.1 |
Completeness [%] | 93.6 | 89.1 |
Redundancy | 4.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10-30% PEG400, 0.1M HEPES, 0.2M CaCl2, 9mM rosmarinic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |