4RGN
Structure of Staphylococcal Enterotoxin B bound to two neutralizing antibodies, 14G8 and 6D3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 301.331, 109.818, 82.782 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 45.710 - 2.698 |
| R-factor | 0.24195 |
| Rwork | 0.240 |
| R-free | 0.27756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 4RGO AND 3GI8 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.447 |
| 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] | 100.000 | 2.750 |
| High resolution limit [Å] | 2.698 | 2.698 |
| Rmerge | 0.094 | 0.741 |
| Number of reflections | 73214 | |
| <I/σ(I)> | 19.9 | 1.8 |
| Completeness [%] | 98.9 | 98.2 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.1 M phosphate/citrate, pH 4.2, 6.7% w/v PEG3000, 0.5 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
