3MPK
Crystal Structure of Bordetella pertussis BvgS periplasmic VFT2 domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 48.950, 95.410, 64.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.560 - 2.040 |
| R-factor | 0.17814 |
| Rwork | 0.176 |
| R-free | 0.21864 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.934 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.160 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.130 | |
| Number of reflections | 19781 | |
| <I/σ(I)> | 27.47 | 9.22 |
| Completeness [%] | 97.1 | 92.7 |
| Redundancy | 5.48 | 5.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1 M sodium acetate (pH 5), 20% MPD (w/v), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
