3DJT
Crystal structure of transthyretin variant V30M at acidic pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9859 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.782, 86.064, 64.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.500 - 2.300 |
R-factor | 0.2151 |
Rwork | 0.213 |
R-free | 0.25338 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.792 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.070 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.094 | 0.326 |
Number of reflections | 12491 | |
<I/σ(I)> | 12 | 5.5 |
Completeness [%] | 97.6 | 94.9 |
Redundancy | 3.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 295 | 32% PEG 2000, 0.1M NaAc, 0.2M Am2SO4 , pH 4.6, VAPOR DIFFUSION, temperature 295K |