4IKK
Crystal structure of wild-type human transthyretin in complex with sulindac
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 | MAR CCD 165 mm |
Wavelength(s) | 1.4250 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 41.510, 83.130, 63.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 1.900 |
R-factor | 0.2023 |
Rwork | 0.199 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.491 |
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] | 83.130 | 19.758 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.075 | 0.037 | 0.368 |
Rmeas | 0.045 | 0.436 | |
Rpim | 0.025 | 0.232 | |
Total number of observations | 1976 | 7724 | |
Number of reflections | 17616 | ||
<I/σ(I)> | 12.2 | 29.2 | 2.5 |
Completeness [%] | 98.1 | 97 | 94.9 |
Redundancy | 3.3 | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10mg/mL wtTTR, 0.2M Calcium chloride, 0.1M HEPES sodium pH 7.5, 28% v/v Polyethylene glycol 400 (Hampton Research's Crystal Screen I, #14), VAPOR DIFFUSION, HANGING DROP, temperature 291K |