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 |