3WS3
Crystal Structure of H-2D in complex with an insulin derived peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.220, 101.130, 117.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.449 - 2.335 |
| R-factor | 0.221 |
| Rwork | 0.217 |
| R-free | 0.29380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yn6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.414 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.14) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.419 |
| High resolution limit [Å] | 2.335 | 2.335 |
| Rmerge | 0.148 | 0.962 |
| Number of reflections | 33466 | |
| <I/σ(I)> | 8.4 | 2.1 |
| Completeness [%] | 74.7 | 7.01 |
| Redundancy | 5.7 | 0.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M Ammonium Sulfate, 25% PEG 3350, 0.1M HEPES, 30% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
