1FYX
CRYSTAL STRUCTURE OF P681H MUTANT OF TIR DOMAIN OF HUMAN TLR2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 32-ID |
Synchrotron site | APS |
Beamline | 32-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-16 |
Detector | MARRESEARCH |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 122.100, 122.100, 92.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.242 |
Rwork | 0.242 |
R-free | 0.28400 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.059 | 0.232 |
Number of reflections | 10002 | |
<I/σ(I)> | 28 | |
Completeness [%] | 96.0 | 68 |
Redundancy | 8 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | 100 mM cacodylate, 10 % PEG 8000, 20 % DMSO, 200 mM MgCl2, 5 mM DTT, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 4K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | cacodylate | 100 (mM) | |
2 | 1 | reservoir | PEG8000 | 10 (%) | |
3 | 1 | reservoir | DMSO | 20 (%(v/v)) | |
4 | 1 | reservoir | 200 (mM) | ||
5 | 1 | reservoir | dithiothreitol | 5 (mM) |