7QYD
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
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] | 298 |
Detector technology | PIXEL |
Collection date | 2016-09-18 |
Detector | CS-PAD CXI-2 |
Wavelength(s) | 1.304373 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 168.245, 158.528, 57.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.100 - 2.400 |
Rwork | 0.183 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7qx4 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.324 |
Data reduction software | cctbx.xfel |
Data scaling software | cctbx.xfel |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.100 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 61141 | 2980 |
<I/σ(I)> | 4.7 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 57.9 | 17.1 |
CC(1/2) | 0.991 | 0.359 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | IN CELL | 6.5 | 303 | crystallized in vivo |