8GCW
Stx2A1(Y77A)-P6 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-06-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 42 3 2 |
| Unit cell lengths | 117.917, 117.917, 117.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.600 - 3.100 |
| R-factor | 0.2655 |
| Rwork | 0.263 |
| R-free | 0.32150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 8.400 | 3.100 |
| Rmerge | 0.258 | 0.062 | 2.397 |
| Total number of observations | 165934 | ||
| Number of reflections | 5545 | 494 | 482 |
| <I/σ(I)> | 3.3 | ||
| Completeness [%] | 99.9 | 97.8 | 100 |
| Redundancy | 17 | 16.2 | 16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 100 mM Imidazole pH 8.0, 370 mM NaCl, 1.09M KNaTartrate |
