3UB3
D96N variant of 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 | 2011-03-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.916, 86.916, 81.162 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.870 - 2.750 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ub2 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Number of reflections | 8535 | |
Completeness [%] | 89.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Tris, 12-15% Glycerol, 0.2-0.3M sodium chloride, 10mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |