6NIG
Crystal structure of the human TLR2-Diprovocim complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.098, 201.252, 109.359 |
| Unit cell angles | 90.00, 94.26, 90.00 |
Refinement procedure
| Resolution | 37.761 - 2.350 |
| R-factor | 0.2105 |
| Rwork | 0.210 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z7x |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.071 | 0.043 | 0.745 |
| Rmeas | 0.080 | 0.049 | 0.839 |
| Rpim | 0.036 | 0.022 | 0.376 |
| Total number of observations | 506871 | ||
| Number of reflections | 118654 | 6109 | 4963 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 94.7 | 95.8 | 79.2 |
| Redundancy | 4.3 | 4.6 | 3.8 |
| CC(1/2) | 0.998 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium citrate tribasic, pH 7.0, 0.1 M imidazole, pH 7.5, 18% PEG1900 MME |
