3NWM
Crystal structure of a single chain construct composed of MHC class I H-2Kd, beta-2microglobulin and a peptide which is an autoantigen for type 1 diabetes
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 | 2009-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.347, 88.527, 61.203 |
| Unit cell angles | 90.00, 102.92, 90.00 |
Refinement procedure
| Resolution | 59.650 - 2.700 |
| R-factor | 0.2064 |
| Rwork | 0.202 |
| R-free | 0.28440 |
| Structure solution method | 2FWO |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.099 | 0.049 | 0.536 |
| Number of reflections | 11893 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 99.9 | 99 | 99.8 |
| Redundancy | 4.1 | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 20% PEG 8K, TrisHCl pH 8.5, Vapor diffusion, Sitting drop, temperature 298K |
