4I87
Crystal structure of TTR variant I84S in complex with CHF5074 at acidic pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 42.820, 84.660, 65.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.010 - 1.690 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.21150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f41 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.222 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.010 | 1.780 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.060 | 0.308 |
Number of reflections | 27383 | |
<I/σ(I)> | 16.7 | 5.2 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 15% (w/v) PEG 2000 monomethylether, 0.1 M ammonium sulfate, 0.05 M sodium acetate buffer, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |