2XN3
Crystal structure of thyroxine-binding globulin complexed with mefenamic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Collection date | 2007-10-11 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 172.835, 41.624, 56.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.390 - 2.090 |
R-factor | 0.21284 |
Rwork | 0.210 |
R-free | 0.25957 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2riv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.258 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.970 | 2.210 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.090 | 0.320 |
Number of reflections | 24692 | |
<I/σ(I)> | 14.5 | 3.3 |
Completeness [%] | 98.2 | 88.5 |
Redundancy | 5.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.4 | 20% PEG3350, PH 5.4 |