6GNO
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-18 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 59.422, 59.422, 115.893 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.895 - 1.650 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sn2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.025 |
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] | 30.900 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.072 | 0.426 |
Number of reflections | 28420 | 2599 |
<I/σ(I)> | 29.7 | 2.4 |
Completeness [%] | 97.2 | 91 |
Redundancy | 10.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Purified SaTTR in 100 mM NaCl and 20 mM Tris-HCl, pH 7.5, was concentrated to 5 mg per ml. TBBPA was added at 5 x molar excess to the protein. The reservoir contained 1.9 M AmSO4. Drop size 3 plus 3 microliter |