1R45
ADP-ribosyltransferase C3bot2 from Clostridium botulinum, triclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.000, 47.000, 108.700 |
| Unit cell angles | 98.50, 97.30, 96.50 |
Refinement procedure
| Resolution | 15.000 - 1.570 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1G24-A |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.416 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.034 | 0.068 |
| Number of reflections | 118341 | |
| <I/σ(I)> | 25.6 | 12.4 |
| Completeness [%] | 94.0 | 90 |
| Redundancy | 2.1 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2 M Lithium Sulfate, 7% PEG 4000, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
