4IK7
Crystal structure of human transthyretin in complex with indomethacin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.42500 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.030, 83.570, 63.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.790 - 2.100 |
R-factor | 0.2039 |
Rwork | 0.202 |
R-free | 0.24360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.370 |
Data scaling software | SCALA (3.2.25) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.624 | 21.791 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.085 | 0.032 | 0.377 |
Rmeas | 0.039 | 0.448 | |
Rpim | 0.021 | 0.238 | |
Total number of observations | 1470 | 6476 | |
Number of reflections | 13519 | ||
<I/σ(I)> | 12 | 27 | 3 |
Completeness [%] | 99.9 | 97.4 | 99.9 |
Redundancy | 3.4 | 3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M Calcium chloride, 0.1M HEPES sodium pH 7.5, 28% v/v Polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 291K |