7MLM
Crystal structure of mouse TLR4/MD-2 in complex with sulfatides
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 | PIXEL |
Collection date | 2019-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97951 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 145.094, 164.293, 89.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.396 - 2.104 |
R-factor | 0.2112 |
Rwork | 0.210 |
R-free | 0.24380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ijc |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.101 | 0.042 | 1.134 |
Rmeas | 0.105 | 0.044 | 1.209 |
Rpim | 0.029 | 0.012 | 0.398 |
Total number of observations | 697266 | ||
Number of reflections | 58410 | 3267 | 1999 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 94.2 | 98.8 | 64.8 |
Redundancy | 11.9 | 13 | 6.9 |
CC(1/2) | 0.998 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M Tris pH8.0, 0.8 M sodium formate, 8% PEG 8000, 8% PEG 1000 |