1B0R
CRYSTAL STRUCTURE OF HLA-A*0201 COMPLEXED WITH A PEPTIDE WITH THE CARBOXYL-TERMINAL GROUP SUBSTITUTED BY A METHYL GROUP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 180 mm plate |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.600, 74.400, 121.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.900 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hhi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 26.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.068 | 0.192 |
| Number of reflections | 9323 | |
| <I/σ(I)> | 17.9 | 6 |
| Completeness [%] | 89.0 | 92 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3-7 (mg/ml) | |
| 2 | 1 | drop | PEG6000 | 16 (%) | |
| 3 | 1 | drop | MES | 25 (mM) | |
| 4 | 1 | drop | sodium azide | 0.1 (%) | |
| 5 | 1 | reservoir | PEG6000 | 13-17 (%) | |
| 6 | 1 | reservoir | MES | 25 (mM) | |
| 7 | 1 | reservoir | sodium azide | 0.1 (%) |
