3ZUR
Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC0-A-SNAP25-Hn-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.957, 157.495, 209.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 125.860 - 2.710 |
| R-factor | 0.21484 |
| Rwork | 0.212 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w2d |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.094 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 2.900 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 69459 | |
| <I/σ(I)> | 14.5 | 2.9 |
| Completeness [%] | 96.6 | 79.7 |
| Redundancy | 7.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M TRIS PH 7.5, 0.2 M LISO4, 15% PEG 3350. |
