1R4B
ADP-ribosyltransferase C3bot2 from Clostridium botulinum, monoclinic form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-09-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.300, 70.000, 109.000 |
| Unit cell angles | 90.00, 101.20, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.850 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g24 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.262 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.058 | 0.235 |
| Number of reflections | 35373 | |
| Completeness [%] | 85.0 | 85 |
| Redundancy | 2.6 | 2.6 |
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 |
