3UB2
TIR domain of Mal/TIRAP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 87.508, 87.508, 81.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.140 - 2.400 |
R-factor | 0.248 |
Rwork | 0.248 |
R-free | 0.26200 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 12504 | |
Completeness [%] | 87.8 | 80 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 0.1M CHES, 12-20% Glycerol, 150-300mM sodium chloride, 10mM DTT, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |