4IIZ
Crystal structure of wild-type human transthyretin in complex with lumiracoxib
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 | CCD |
Collection date | 2008-09-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.425 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 41.880, 83.000, 62.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.680 - 2.100 |
R-factor | 0.1755 |
Rwork | 0.172 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 2.132 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.045 | 21.673 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.056 | 0.033 | 0.260 |
Rmeas | 0.041 | 0.311 | |
Rpim | 0.024 | 0.166 | |
Total number of observations | 1337 | 6008 | |
Number of reflections | 13337 | ||
<I/σ(I)> | 20.6 | 52.1 | 4 |
Completeness [%] | 99.8 | 95.7 | 100 |
Redundancy | 3.2 | 2.9 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | VAPOR DIFFUSION, HANGING DROP, temperature 293K |