1LO5
Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with human MHC class II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.076 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.008, 75.792, 198.082 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.200 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.33900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1esf and 1dlh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.590 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.101 | 0.246 |
| Number of reflections | 38082 * | 4777 * |
| <I/σ(I)> | 6.4 | 3.1 |
| Completeness [%] | 91.6 | 87.9 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 | 291 | 0.2M (NH4)2SO4, 0.1M MES, 24%(w/v) polyethylen glycol monomethyl ether 5000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5 (mg/ml) | |
| 2 | 1 | drop | 1 (mM) | ||
| 3 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 4 | 1 | reservoir | MES | 0.1 (M) | |
| 5 | 1 | reservoir | PEG5000 | 24 (%(w/v)) | pH6.5 |
