8W7N
Crystal structure of the in-cell Cry1Aa purified from Bacillus thuringiensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 88.700, 88.700, 270.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.820 - 3.600 |
| R-factor | 0.22246 |
| Rwork | 0.217 |
| R-free | 0.31764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.003 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.630 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Number of reflections | 13301 | 303 |
| <I/σ(I)> | 2.5 | 1.55 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 55.9 | 39.9 |
| CC(1/2) | 0.689 | 0.657 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | IN CELL | 303 | Cry1Aa was expressed in the Bt cells by inoculating 250 mL of NYS medium and cultured at 303K for 3 days |
