4G8A
Crystal structure of human TLR4 polymorphic variant D299G and T399I in complex with MD-2 and LPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.038, 124.680, 109.140 |
| Unit cell angles | 90.00, 115.72, 90.00 |
Refinement procedure
| Resolution | 39.180 - 2.400 |
| R-factor | 0.20193 |
| Rwork | 0.199 |
| R-free | 0.24894 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fxi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.462 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 39.200 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.129 |
| Number of reflections | 70730 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 26-30% (w/v) PEG1000, 0.1M Tris-HCl (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
