6MT3
Crystal Structure of HLA-B*18:01 in complex with NP338 influenza peptide
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 | 2014-02-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.954 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.833, 81.553, 110.686 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.200 - 1.210 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gso |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.190 | 1.230 |
High resolution limit [Å] | 1.210 | 1.210 |
Rmerge | 0.093 | 0.702 |
Total number of observations | 984959 | 40588 |
Number of reflections | 140506 | 6636 |
<I/σ(I)> | 11.8 | 2.4 |
Completeness [%] | 99.6 | 95.8 |
Redundancy | 7 | 6.1 |
CC(1/2) | 0.997 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG6000, 0.2M NaCl, 0.1M Na citrate pH 6.5 |