3DJR
CRYSTAL STRUCTURE OF TRANSTHYRETIN VARIANT L58H at neutral 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 | 2007-03-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.99988 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.879, 84.144, 64.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.000 - 2.020 |
R-factor | 0.20153 |
Rwork | 0.200 |
R-free | 0.22776 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.588 |
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 | 2.110 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.057 | 0.349 |
Number of reflections | 15678 | |
<I/σ(I)> | 22.6 | 4.1 |
Completeness [%] | 95.4 | 69.5 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 295 | 32% PEG 400, 0.05-0.2M CaCl2, 0.1M NaHepes, pH 7.5, VAPOR DIFFUSION, temperature 295K |