5D5M
Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.197, 70.260, 142.379 |
Unit cell angles | 90.00, 104.15, 90.00 |
Refinement procedure
Resolution | 47.739 - 2.200 |
R-factor | 0.1731 |
Rwork | 0.171 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4l4t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.099 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 75.110 | 75.110 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.111 | 0.069 | 0.663 |
Rpim | 0.068 | 0.043 | 0.398 |
Total number of observations | 387238 | 2434 | 19150 |
Number of reflections | 105471 | ||
<I/σ(I)> | 7.4 | 15.4 | 2 |
Completeness [%] | 99.9 | 99.1 | 99.9 |
Redundancy | 3.7 | 3.5 | 3.7 |
CC(1/2) | 0.991 | 0.987 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | BTP, PEG 3350, NaAc |