7SNE
Pertussis toxin S1 subunit bound to BaAD
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 | 2014-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.685, 67.640, 71.625 |
| Unit cell angles | 91.55, 90.22, 91.08 |
Refinement procedure
| Resolution | 34.679 - 1.000 |
| R-factor | 0.198250617921 |
| Rwork | 0.197 |
| R-free | 0.21864 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7sky |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.198 |
| 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] | 34.700 | 1.160 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rpim | 0.052 | 0.420 |
| Number of reflections | 307206 | 112134 |
| <I/σ(I)> | 8.8 | 1.6 |
| Completeness [%] | 87.6 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2M LiCl, 14% w/v PEG 3350 |
