4Q0C
3.1 A resolution crystal structure of the B. pertussis BvgS periplasmic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-01-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.450, 285.820, 128.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.989 - 3.100 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mpk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.452 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.190 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.186 | 0.719 |
| Number of reflections | 48847 | |
| <I/σ(I)> | 11.89 | 2.68 |
| Completeness [%] | 99.1 | 94.5 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100 mM Sodium Acetate (pH 4.6), 1.6 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
