7N2N
TCR-antigen complex AS4.2-PRPF3-HLA*B27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03317 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.109, 53.154, 106.818 |
Unit cell angles | 90.00, 98.48, 90.00 |
Refinement procedure
Resolution | 47.480 - 2.600 |
R-factor | 0.2495 |
Rwork | 0.248 |
R-free | 0.29070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5KSB 1JGE |
RMSD bond length | 0.002 |
RMSD bond angle | 0.449 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.760 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 59379 | 3273 |
<I/σ(I)> | 7 | |
Completeness [%] | 94.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.994 | 0.230 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350 with 0.2M Potassium phosphate monobasic |