2XHL
Structure of a functional derivative of Clostridium botulinum neurotoxin type 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 | 2010-01-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 66.890, 149.100, 113.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 113.490 - 2.800 |
| R-factor | 0.24213 |
| Rwork | 0.240 |
| R-free | 0.28231 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1epw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.640 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.120 | 0.510 |
| Number of reflections | 28644 | |
| <I/σ(I)> | 10.3 | 3.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 15% PEG3350, 0.1M BIS-TRIS-PROPANE PH 6.5, 0.2M SODIUM SULPHATE |
