6GNR
Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 59.678, 59.678, 115.701 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.189 - 1.400 |
R-factor | 0.138 |
Rwork | 0.136 |
R-free | 0.17210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sn2 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.971 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.086 | 0.921 |
Number of reflections | 47720 | 2484 |
<I/σ(I)> | 17.1 | 2.5 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 9.7 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | Purified SaTTR in 100 mM NaCl and 20 mM Tris-HCl, pH 7.5, was concentrated to 5 mg per ml. Clonixin was added at 5 x molar excess to the protein. The reservoir contained 2 M AmSO4, 0.1 M NaAc, pH 4.6. Drop size 3 plus 3 microliter |