7SKI
Pertussis toxin in complex with PJ34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1994-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.369, 42.541, 72.775 |
| Unit cell angles | 90.00, 95.79, 90.00 |
Refinement procedure
| Resolution | 21.831 - 1.099 |
| R-factor | 0.171413573292 |
| Rwork | 0.171 |
| R-free | 0.17837 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.916 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.831 | 1.160 |
| High resolution limit [Å] | 1.099 | 1.100 |
| Rpim | 0.046 | 0.366 |
| Number of reflections | 142710 | 19609 |
| <I/σ(I)> | 8.6 | 3.1 |
| Completeness [%] | 96.9 | |
| Redundancy | 5 | |
| CC(1/2) | 0.994 | 0.746 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.15M NaCl, 0.1M Tris(hydroxymethyl)aminomethane pH 8.0, 8% w/v PEG 8000 |
