8BEZ
Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 11
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] | 298 |
| Detector technology | PIXEL |
| Collection date | 2022-04-22 |
| Detector | AGIPD |
| Wavelength(s) | 1.33 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.120, 83.220, 156.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.120 - 1.750 |
| R-factor | 0.1777 |
| Rwork | 0.176 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wa1 5foy 5g37 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.443 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL (Ambigator) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.120 | 1.770 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 105904 | 6782 |
| <I/σ(I)> | 14.81 | |
| Completeness [%] | 99.8 | |
| Redundancy | 323.7 | |
| CC(1/2) | 0.998 | 0.249 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 11 | 298 | Natural |
