3ZUQ
Crystal structure of an engineered botulinum neurotoxin type B - derivative, LC-B-GS-Hn-B
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 | 2010-08-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.370, 103.790, 114.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.030 - 2.700 |
| R-factor | 0.24942 |
| Rwork | 0.248 |
| R-free | 0.28120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xhl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.844 |
| 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] | 58.400 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.130 | 0.490 |
| Number of reflections | 28039 | |
| <I/σ(I)> | 8.5 | 3.3 |
| Completeness [%] | 93.3 | 100 |
| Redundancy | 5.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M TRIS ACETATE PH8.0, 0.2M MGCL, 20% PEG8000 |
