3DJS
Crystal structure of transthyretin variant L58H at acidic pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.846, 85.694, 64.478 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.420 - 1.800 |
R-factor | 0.20478 |
Rwork | 0.204 |
R-free | 0.21742 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.464 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.420 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.103 | 0.342 |
Number of reflections | 23088 | |
<I/σ(I)> | 16.4 | 5.3 |
Completeness [%] | 99.4 | 100 |
Redundancy | 6.7 | 7 |
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 |