7U6Z
Pertussis toxin E129D NAD
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 | 2007-06-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.190, 34.560, 71.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.450 - 1.300 |
R-factor | 0.194662102267 |
Rwork | 0.194 |
R-free | 0.21375 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bcp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.133 |
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] | 25.000 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rpim | 0.026 | 0.153 |
Number of reflections | 64240 | 4829 |
<I/σ(I)> | 15.7 | 5.2 |
Completeness [%] | 76.3 | |
Redundancy | 4.8 | |
CC(1/2) | 0.998 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.2M KI, 25% PEG3350 |