7QA1
The structure of natural crystals of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated using serial femtosecond crystallography at an X-ray free electron laser
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
| Synchrotron site | European XFEL |
| Beamline | SPB/SFX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2021-10-18 |
| Detector | AGIPD |
| Wavelength(s) | 1.33 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.760, 83.150, 157.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.570 - 2.200 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.19670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wa1 5foy 5g37 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.848 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.570 | 2.220 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 53943 | 2667 |
| <I/σ(I)> | 8.91 | 1.25 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 485 | 28.8 |
| CC(1/2) | 0.990 | 0.480 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 298 | Natural crystallisation |
