6DIG
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
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 | C 1 2 1 |
| Unit cell lengths | 63.666, 89.596, 90.928 |
| Unit cell angles | 90.00, 99.52, 90.00 |
Refinement procedure
| Resolution | 44.840 - 2.000 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.25460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uvq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.348 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | phenix.refine (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.069 | 0.596 |
| Number of reflections | 33906 | 12012 |
| <I/σ(I)> | 5.68 | 1.22 |
| Completeness [%] | 99.5 | 98.88 |
| Redundancy | 3.8 | 3.5 |
| CC(1/2) | 0.994 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein at 10mg/ml in PBS pH 7.4 mixed 50/50 mix (v/v) with16% PEG8K, 0.1M Mg Acetate, 0.1M glycine pH 4.5 |
