3DK0
Crystal structure of transthyretin variant L55P at acidic pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9340 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.632, 84.780, 65.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.370 - 1.870 |
R-factor | 0.20768 |
Rwork | 0.207 |
R-free | 0.22250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.001 |
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] | 51.300 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.062 | 0.434 |
Number of reflections | 19735 | |
<I/σ(I)> | 19.8 | 3.5 |
Completeness [%] | 98.1 | 89.7 |
Redundancy | 6.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 295 | 32% PEG 400, 0.05-0.2M CaCl2, 0.1M NaHepes , pH 4.6, VAPOR DIFFUSION, temperature 295K |