5C0G
HLA-A02 carrying YLGGPDFPTI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.030, 79.170, 58.290 |
Unit cell angles | 90.00, 115.54, 90.00 |
Refinement procedure
Resolution | 43.808 - 1.370 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.18760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3utq |
RMSD bond length | 0.021 |
RMSD bond angle | 2.237 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.808 | 43.808 | 1.410 |
High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
Rmerge | 0.024 | 0.894 | |
Rmeas | 0.067 | ||
Rpim | 0.035 | 0.016 | 0.602 |
Total number of observations | 325767 | 4205 | 22545 |
Number of reflections | 91447 | ||
<I/σ(I)> | 11.6 | 29.2 | 1.9 |
Completeness [%] | 96.9 | 99.4 | 95.1 |
Redundancy | 3.6 | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M sodium nitrate, 0.1M BIS TRIS propane pH6.5, 20% PEG 3350 |