6SUS
Crystal structure of RTX domain blocks IV and V of adenylate cyclase toxin from Bordetella pertussis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2014-03-26 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.771, 91.771, 104.465 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.760 |
| R-factor | 0.1844 |
| Rwork | 0.184 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cvw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.187 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.052 | 0.831 |
| Rmeas | 0.055 | 0.881 |
| Number of reflections | 44820 | 7085 |
| <I/σ(I)> | 24.66 | 2.69 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 8.94 | |
| CC(1/2) | 1.000 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M NH4NO3 20% w/v PEG 3350 |
