1I3R
CRYSTAL STRUCTURE OF A MUTANT IEK CLASS II MHC MOLECULE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 117.059, 58.020, 143.222 |
Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.400 |
R-factor | 0.229 * |
Rwork | 0.229 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.270 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.061 | 0.445 |
Number of reflections | 74154 | 6856 * |
<I/σ(I)> | 17.6 | |
Completeness [%] | 96.9 | 90.8 |
Redundancy | 3.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12.8% PEG4000, 80mM MgCl2, 80mM HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4.1 (mg/ml) | |
2 | 1 | drop | PEG4000 | 12.8 (%) | |
3 | 1 | drop | 80 (mM) | ||
4 | 1 | drop | HEPES | 80 (mM) |