4W81
Periplasmically Produced Monomeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB) at pH 8.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 150 |
| Detector technology | CCD |
| Collection date | 2013-08-08 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 |
| Unit cell lengths | 87.499, 87.499, 46.787 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.750 - 2.250 |
| R-factor | 0.19477 |
| Rwork | 0.193 |
| R-free | 0.23263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4w70 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.983 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.750 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.130 | 0.421 |
| Number of reflections | 6314 | |
| <I/σ(I)> | 10.6 | 3.19 |
| Completeness [%] | 99.5 | 95.9 |
| Redundancy | 5.37 | 3.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | Hampton Ammonium Sulfate Grid Screen condition B5 0.1 M Tris pH 8.0, 1.6 M Ammonium Sulfate |
