5JIQ
Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.913 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.943, 85.497, 64.191 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.374 - 1.450 |
R-factor | 0.1332 |
Rwork | 0.131 |
R-free | 0.16770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.221 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.039 | 0.676 |
Number of reflections | 42623 | |
<I/σ(I)> | 23.35 | 2.74 |
Completeness [%] | 99.4 | 94.9 |
Redundancy | 7.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | Purified TTRwt was dialyzed against 10 mM sodiumphosphate buffer with 100 mM KCl pH 7.6 and concentrated to 5 mg per ml. BP2 was added at 5 x molar excess to the protein. The reservoir contained 1.3 to 1.6 M sodium citrate and 3.5 percent glycerol at pH 5.5. Drop size 3 plus 3 microliter. |