1K2D
Crystal structure of the autoimmune MHC class II I-Au complexed with myelin basic protein 1-11 at 2.2A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-11-21 |
Detector | MARRESEARCH |
Wavelength(s) | 1.08 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.150, 110.590, 94.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 * |
R-factor | 0.249 |
Rwork | 0.248 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1IAKJ |
RMSD bond length | 0.008 * |
RMSD bond angle | 1.400 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.450 * |
Total number of observations | 144694 * | |
Number of reflections | 26280 | |
<I/σ(I)> | 6.7 | 1.6 |
Completeness [%] | 98.3 | 98.5 * |
Redundancy | 5.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 * | 296 | MPEG 5000, sodium chloride, citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG5000 | 20 (%) | |
2 | 1 | reservoir | ammonium sulfide | 50 (mM) | pH4.5 |