8OWS
The crystal structure of the polymorphic toxin PT1(Em) H44A mutant and its cognate immunity PIM1(Em) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-10 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.378, 68.054, 69.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.710 - 1.390 |
R-factor | 0.1754 |
Rwork | 0.174 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.869 |
Data reduction software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.710 | 1.410 |
High resolution limit [Å] | 1.390 | 1.390 |
Number of reflections | 44914 | 2282 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 96.4 | |
Redundancy | 4 | |
CC(1/2) | 0.990 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 10% PEG-8000, 0.2 M Ca-acetate, Imidazole pH 8.0. |