3WS6
Crystal Structure of H-2D in complex with a mimotopic 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 | 2012-10-18 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 162.723, 69.265, 73.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.496 - 1.980 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yn6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 1.980 | 5.430 | 2.000 |
| Rmerge | 0.113 | 0.042 | |
| Number of reflections | 54087 | ||
| <I/σ(I)> | 6.9 | ||
| Completeness [%] | 92.7 | 98.6 | 82.5 |
| Redundancy | 12.2 | 13.6 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.2M Sodium Chloride, 10% PEG 3000, 0.1M Phosphate/Citrate buffer, 20% Glycerol, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
