6LVY
Crystal structure of TLR7/Cpd-2 (SM-360320) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-18 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.002, 138.369, 148.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.010 - 2.600 |
R-factor | 0.1966 |
Rwork | 0.194 |
R-free | 0.23930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gmh |
RMSD bond length | 0.012 |
RMSD bond angle | 1.683 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.660 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 63518 | 4417 |
<I/σ(I)> | 20.8 | |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.999 | 0.779 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 3350 or PEG 8000, ammonium sulfate, sodium citrate pH 5.0, Tris-HCl pH 7.5, NaCl |