2XN5
Crystal structure of thyroxine-binding globulin complexed with Furosemide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 172.880, 42.150, 56.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.440 - 1.700 |
| R-factor | 0.20574 |
| Rwork | 0.204 |
| R-free | 0.23208 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2riv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.104 |
| 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] | 34.580 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.190 | 0.550 |
| Number of reflections | 40382 | |
| <I/σ(I)> | 4.3 | 1.7 |
| Completeness [%] | 92.6 | 71.1 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.4 | 20% PEG3350, pH 5.4 |
