3ZUS
Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC-A-SNAP23-Hn-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.179, 204.969, 130.883 |
| Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
| Resolution | 130.810 - 2.950 |
| R-factor | 0.2499 |
| Rwork | 0.248 |
| R-free | 0.29260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.821 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.400 | 3.110 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.130 | 0.550 |
| Number of reflections | 97807 | |
| <I/σ(I)> | 10.4 | 3 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 5.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1 M IMIDAZOLE MALATE PH 6.0, 15% PEG 3350. |
