3OZK
Crystal structure of human transthyretin variant A25T in complex with thyroxine (T4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-03-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.4586 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.130, 85.310, 64.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.010 - 1.900 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.23600 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.823 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | REFMAC (5.5.0102) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.340 | 26.011 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.061 | 0.072 | 0.260 |
Number of reflections | 19350 | ||
<I/σ(I)> | 17.6 | 8.4 | 2.8 |
Completeness [%] | 99.8 | 95.3 | 100 |
Redundancy | 4.1 | 3.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Hepes sodium pH 7.5, 28% PEG 400, 0.2 calcium chloride dihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, complex obtained by soaking crystal with ligand. |