4Q6W
Crystal Structure of Periplasmic Binding Protein type 1 from Bordetella pertussis Tohama I complexed with 3-Hydroxy Benzoic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97925 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 112.638, 138.041, 57.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.840 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.325 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1621)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.850 |
| Number of reflections | 76339 | |
| <I/σ(I)> | 12.5 | 2 |
| Completeness [%] | 97.8 | 87.2 |
| Redundancy | 7.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M ammonium sulfate, 0.1 M sodium cacodylate pH 6.5, 30 %(w/v) PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
