1FV1
STRUCTURAL BASIS FOR THE BINDING OF AN IMMUNODOMINANT PEPTIDE FROM MYELIN BASIC PROTEIN IN DIFFERENT REGISTERS BY TWO HLA-DR2 ALLELES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-07 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.189, 114.892, 63.175 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.900 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26700 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.081 | 0.349 |
| Total number of observations | 181399 * | |
| Number of reflections | 63997 * | |
| <I/σ(I)> | 0.081 | |
| Completeness [%] | 90.8 * | 75.6 * |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 298 | 2/3 dilution of 30% PEG 8000, 0.1M sodium cacodylate, pH6.5, 0.2M ammonium sulfate, EVAPORATION, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 30 (%(w/v)) | |
| 3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
| 4 | 1 | reservoir | ammonium sulfate | 0.2 (M) |
