4ISQ
Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-11-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 164.227, 57.550, 165.274 |
| Unit cell angles | 90.00, 118.11, 90.00 |
Refinement procedure
| Resolution | 48.650 - 2.650 |
| R-factor | 0.2045 |
| Rwork | 0.204 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.786 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.500 | 48.595 | 2.790 |
| High resolution limit [Å] | 2.650 | 8.380 | 2.650 |
| Rmerge | 0.034 | 0.658 | |
| Total number of observations | 8892 | 42411 | |
| Number of reflections | 80166 | ||
| <I/σ(I)> | 9.3 | 19.1 | 1.1 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 3.6 | 3.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.0 M NaSO4, 0.1 M Na-cacodylate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
