3MPL
Crystal Structure of Bordetella pertussis BvgS VFT2 domain (Double Mutant F375E/Q461E)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-12-17 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 48.800, 101.480, 53.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.19068 |
| Rwork | 0.188 |
| R-free | 0.24528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mpk |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.846 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.242 | |
| Number of reflections | 15270 | |
| <I/σ(I)> | 20.74 | 6.89 |
| Completeness [%] | 94.1 | 99 |
| Redundancy | 6.97 | 6.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 0.085M HEPES (pH 7.5), 10% PEG 40000 (w/v), 6.8% ethylene glycol, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
