3VJ6
Structure of the MHC class Ib molecule Qa-1b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.268, 72.833, 95.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.449 - 1.900 |
| R-factor | 0.2029 |
| Rwork | 0.201 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2esv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.083 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.580 |
| Number of reflections | 33622 | |
| <I/σ(I)> | 31.5 | 3.2 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 6% PEG 4000, 10mM NiCl2, 0.1M sodium acetate, pH 6.3. , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
