1GOZ
Structural basis for the altered T-cell receptor binding specificty in a superantigenic staphylococcus aureus Enterotoxin-B mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 100 |
| Collection date | 1999-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.545, 98.555, 126.469 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.000 |
| R-factor | 0.225 * |
| Rwork | 0.227 |
| R-free | 0.24900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3seb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.170 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.365 |
| Total number of observations | 419612 * | |
| Number of reflections | 33201 | |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 92.7 | 88.3 |
| Redundancy | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 | 16 * | PH 4.6 SODIUM CITRATE BUFFER, 0.1M AMMONIUM ACETATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 2 | 1 | reservoir | sodium citrate | 50 (mM) | pH4.6 |
| 3 | 1 | reservoir | ammonium acetate | 0.1 (M) |
