8BP6
Structure of MHC-class I related molecule MR1 with bound M3Ade
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99988 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.352, 143.534, 77.029 |
Unit cell angles | 90.00, 101.82, 90.00 |
Refinement procedure
Resolution | 49.284 - 2.800 |
R-factor | 0.2361 |
Rwork | 0.237 |
R-free | 0.24670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gup |
RMSD bond length | 0.006 |
RMSD bond angle | 0.778 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.284 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.109 | 1.365 |
Rpim | 0.044 | 0.560 |
Number of reflections | 29076 | 2916 |
<I/σ(I)> | 9.7 | 1 |
Completeness [%] | 98.7 | |
Redundancy | 7 | |
CC(1/2) | 0.994 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Morpheus-F9 |