7KEI
DQA1*01:02/DQB1*06:02 in complex with a hemagglutinin peptide from the H1N1 pandemic flu virus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-01 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.310, 58.255, 67.507 |
| Unit cell angles | 90.00, 96.08, 90.00 |
Refinement procedure
| Resolution | 27.930 - 1.750 |
| R-factor | 0.2047 |
| Rwork | 0.203 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uvq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.940 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.930 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | |
| Number of reflections | 46303 | 4600 |
| <I/σ(I)> | 8.41 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 35% PEG MME 550, 0.2M MgCl2, 0.1M MES pH 6.5. |
