4D8P
Structural and functional studies of the trans-encoded HLA-DQ2.3 (DQA1*03:01/DQB1*02:01) molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-16 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.890, 114.920, 138.030 |
| Unit cell angles | 90.00, 103.36, 90.00 |
Refinement procedure
| Resolution | 29.310 - 3.050 |
| R-factor | 0.21398 |
| Rwork | 0.210 |
| R-free | 0.28321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1JK8 and 1S9V |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.393 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.310 | 3.130 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.068 | 0.851 |
| Number of reflections | 21713 | |
| <I/σ(I)> | 16.4 | 1.9 |
| Completeness [%] | 99.6 | |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2M Li2So4, 0.1M Tris, 30% PEG 4000, 8% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
