5WJN
Crystal Structure of HLA-A*11:01-GTS3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 158.325, 145.522, 106.303 |
Unit cell angles | 90.00, 121.14, 90.00 |
Refinement procedure
Resolution | 45.670 - 2.850 |
R-factor | 0.202 |
Rwork | 0.201 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.670 | 48.970 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.147 | 0.052 | 0.599 |
Rmeas | 0.083 | 0.061 | |
Rpim | 0.088 | 0.043 | 0.031 |
Total number of observations | 5347 | 27072 | |
Number of reflections | 47263 | ||
<I/σ(I)> | 6.7 | 14.4 | 2.1 |
Completeness [%] | 98.2 | 95.5 | 100 |
Redundancy | 3.8 | 3.6 | 3.9 |
CC(1/2) | 0.980 | 0.993 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 277 | 1.4-1.8M NH4SO4, 0.1M Na-cacodylate pH6.5, 200mM NaCl, 2% Ethylen glycol |