6LVZ
Crystal structure of TLR7/Cpd-3 (SM-394830) 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 | 2019-02-16 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.548, 139.079, 149.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.870 - 2.830 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gmh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.483 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.010 | 2.920 |
High resolution limit [Å] | 2.830 | 2.830 |
Number of reflections | 49651 | 4499 |
<I/σ(I)> | 16.2 | |
Completeness [%] | 100.0 | |
Redundancy | 6.7 | |
CC(1/2) | 0.998 | 0.717 |
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 |