3ULA
Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.210, 126.935, 129.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.600 |
Rwork | 0.306 |
R-free | 0.34060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z65 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.790 |
High resolution limit [Å] | 3.600 | 3.600 |
Number of reflections | 15854 | |
Completeness [%] | 99.7 | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 296 | 0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K |