6Z9X
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 206.240, 49.350, 115.900 |
Unit cell angles | 90.00, 123.85, 90.00 |
Refinement procedure
Resolution | 51.340 - 2.680 |
R-factor | 0.1886 |
Rwork | 0.186 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eul |
RMSD bond length | 0.013 |
RMSD bond angle | 1.650 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 51.340 | 51.340 | 2.830 |
High resolution limit [Å] | 2.680 | 8.950 | 2.700 |
Rmerge | 0.173 | 0.064 | 0.760 |
Rmeas | 0.216 | 0.077 | 0.961 |
Rpim | 0.127 | 0.043 | 0.580 |
Total number of observations | 1738 | 6815 | |
Number of reflections | 22144 | 616 | 2970 |
<I/σ(I)> | 6 | 9.6 | 2.7 |
Completeness [%] | 81.9 | 77.4 | 83.4 |
Redundancy | 2.5 | 2.8 | 2.3 |
CC(1/2) | 0.916 | 0.987 | 0.207 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 4000, 0.1 M Cacodylate buffer, 5% glycerol |