6T1A
Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 300 |
Detector technology | PIXEL |
Collection date | 2018-11-16 |
Detector | CS-PAD CXI-2 |
Wavelength(s) | 1.28 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 65.446, 65.446, 165.451 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.824 - 1.850 |
Rwork | 0.243 |
R-free | 0.29370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6t14 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.787 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230 2018/03/05) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 18439 | 910 |
<I/σ(I)> | 34.6 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 165.4 | 33.6 |
CC(1/2) | 0.998 | 0.073 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | IN CELL | 10.3 | 300 | In cell crystallization by recombinant expression in a Bacillus thuringiensis serovar israelensis strain devoid of its pBt plasmid. |