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 |