2F8I
Human transthyretin (TTR) complexed with Benzoxazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-08-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.90 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.072, 84.690, 64.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.360 - 1.541 |
R-factor | 0.21885 |
Rwork | 0.217 |
R-free | 0.24629 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bmz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.455 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.360 | 1.580 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 30705 | |
Completeness [%] | 86.0 | 89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1 MM EDTA, 100 mM KCL, 10 MM SODIUM R 0.35 M AMMONIUM SULFATE - CRYSTALS WERE SOAKED WITH THE INHIBITOR, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 7.00 |