3I9P
Crystal structure of human transthyretin - wild type
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 | 2008-03-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4250 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.420, 83.490, 63.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.850 - 1.900 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cfm |
RMSD bond length | 0.011 |
RMSD bond angle | 1.602 |
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] | 63.500 | 21.850 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.057 | 0.028 | 0.254 |
Total number of observations | 1936 | 7738 | |
Number of reflections | 17774 | ||
<I/σ(I)> | 19.9 | 16.3 | 2.8 |
Completeness [%] | 97.0 | 97.5 | 93.7 |
Redundancy | 3.2 | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1 uL 5 mg/mL wtTTR + 1 uL well solution - 0.1 M Hepes sodium pH 7.5, 28 % PEG 400, 0.2 calcium chloride dihydrate (Hampton's Crystal Screen I #14), VAPOR DIFFUSION, HANGING DROP, temperature 293K |