4MPT
Crystal Structure of Periplasmic binding Protein Type 1 from Bordetella pertussis Tohama I
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 61 |
| Unit cell lengths | 86.565, 86.565, 194.053 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.282 - 1.750 |
| R-factor | 0.163 |
| Rwork | 0.160 |
| R-free | 0.17600 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1367)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 81351 | |
| <I/σ(I)> | 10.7 | 2.5 |
| Completeness [%] | 98.3 | 83.1 |
| Redundancy | 10.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 60 %(w/v) Tacsimate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
