4RGM
Structure of Staphylococcal Enterotoxin B bound to the neutralizing antibody 20B1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.467, 83.669, 174.731 |
| Unit cell angles | 90.00, 91.40, 90.00 |
Refinement procedure
| Resolution | 174.679 - 2.689 |
| R-factor | 0.22777 |
| Rwork | 0.225 |
| R-free | 0.27656 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1SE4 AND 1JHK |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 174.679 | 2.750 |
| High resolution limit [Å] | 2.689 | 2.689 |
| Rmerge | 0.158 | 0.503 |
| Number of reflections | 43919 | |
| <I/σ(I)> | 16.1 | 2.5 |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 7.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES sodium, pH 7.5, 20% w/v PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
