7NUX
Crystal structure of the TIR domain of human TLR1 (crystallised without ZN2+ ions)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.972 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 101.260, 101.260, 68.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.630 - 2.470 |
R-factor | 0.2317 |
Rwork | 0.229 |
R-free | 0.27880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fyv |
RMSD bond length | 0.001 |
RMSD bond angle | 0.391 |
Data reduction software | autoPROC |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.630 | 2.558 |
High resolution limit [Å] | 2.470 | 2.470 |
Rpim | 0.030 | 0.300 |
Number of reflections | 7879 | 752 |
<I/σ(I)> | 21.19 | |
Completeness [%] | 99.9 | |
Redundancy | 37.5 | |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 277 | 170 mM Ammonium acetate, 85 mM Sodium citrate tribasic dihydrate pH 5.6, 25.5% w/v Polyethylene glycol 4,000, 15% v/v glycerol (#9 from HR2-122 Hampton) Growth at +4 for 3-4 months. |