3CFT
Crystal structure of human transthyretin in complex with 1-amino-5-naphthalene sulfonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.960, 85.610, 63.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.400 - 1.870 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cfm |
RMSD bond length | 0.019 |
RMSD bond angle | 1.664 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.749 | 42.960 | 1.960 |
High resolution limit [Å] | 1.870 | 5.880 | 1.870 |
Rmerge | 0.059 | 0.025 | 0.457 |
Total number of observations | 2786 | 9788 | |
Number of reflections | 19759 | ||
<I/σ(I)> | 9.7 | 16.8 | 1.6 |
Completeness [%] | 96.8 | 99.6 | 83.1 |
Redundancy | 4.1 | 3.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |