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 |