4R40
Crystal Structure of TolB/Pal complex from Yersinia pestis.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.389, 175.252, 66.268 |
| Unit cell angles | 90.00, 89.83, 90.00 |
Refinement procedure
| Resolution | 43.821 - 2.496 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 4PWZ and 4PWT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.027 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.821 | 2.540 |
| High resolution limit [Å] | 2.496 | 2.500 |
| Number of reflections | 35354 | |
| <I/σ(I)> | 10.7 | 2 |
| Completeness [%] | 95.1 | 80.8 |
| Redundancy | 4.5 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1M lithium sulfate monohydrate, 0.1M Bis-tris pH 7.5, 25% PEG 3550, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
