3DME
Crystal structure of conserved exported protein from Bordetella pertussis. NorthEast Structural Genomics target BeR141
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.717, 50.573, 104.895 |
| Unit cell angles | 90.00, 115.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.1903 |
| Rwork | 0.189 |
| R-free | 0.21722 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.075 |
| Number of reflections | 152950 | |
| <I/σ(I)> | 38.2 | 34 |
| Completeness [%] | 98.4 | 92.7 |
| Redundancy | 3.7 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100 mM NaNo3, 100 mM MES, 20% PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
