6GNM
Crystal Structure Of Sea Bream Transthyretin in complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-03 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.526, 75.845, 107.552 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.560 - 2.240 |
R-factor | 0.183 |
Rwork | 0.179 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sn2 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.600 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.560 | 2.330 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.124 | 0.611 |
Number of reflections | 27586 | |
<I/σ(I)> | 6.8 | 1.3 |
Completeness [%] | 95.5 | 81.6 |
Redundancy | 3.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Purified SaTTR in 100 mM NaCl and 20 mM Tris-HCl, pH 7.5, was concentrated to 5 mg per ml. BP2 was added at 5 x molar excess to the protein. The reservoir contained 0.01M ZnSO4 hepahyrate, 0.1M MES pH 6.5, 25% PEG-MME 550. Drop size 3 plus 3 microliter |