1O77
CRYSTAL STRUCTURE OF THE C713S MUTANT OF THE 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 |
| Collection date | 2001-06-15 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 112.300, 112.300, 362.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.200 |
| R-factor | 0.249 |
| Rwork | 0.249 |
| R-free | 0.31600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fyw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.310 |
| Rmerge | 0.087 | 0.399 |
| Total number of observations | 99505 * | |
| Number of reflections | 23135 | |
| <I/σ(I)> | 15 | 10 |
| Completeness [%] | 98.9 | 99.1 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | 21 * | 1.4M (NH4)2HPO4, 0.1M MES PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MES | 100 (mM) | pH6.5, or HEPES(pH7.5) |
| 2 | 1 | reservoir | 1.2-1.4 (M) | ||
| 3 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 4 | 1 | drop | protein | 10-20 (mg/ml) | |
| 5 | 1 | drop | MOPS | 20 (mM) | pH7.0 |
| 6 | 1 | drop | 150 (mM) | ||
| 7 | 1 | drop | dithiothreitol | 2 (mM) |
