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 |