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 |