5U4D
Wild-type Transthyretin in complex with 3-[(1E)-2-(2-Chloro-4-hydroxyphenyl)ethenyl]benzoic Acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.207, 84.814, 64.618 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.500 - 1.550 |
R-factor | 0.21 |
Rwork | 0.206 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qgb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (phenix.refine: 1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.500 | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.066 | 0.038 | 0.607 |
Number of reflections | 35258 | 1735 | |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.8 | 97.4 | 99.5 |
Redundancy | 6.1 | 5.8 | 5.2 |
CC(1/2) | 0.998 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.3 M Sodium Citrate, 3.0% Glycerol |