2F1N
Structure of CdtB, the biologically active subunit of Cytolethal Distending Toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.884, 47.539, 114.888 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.740 - 1.730 |
| R-factor | 0.19361 |
| Rwork | 0.192 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sr4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.646 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.740 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.066 | 0.212 |
| Number of reflections | 23141 | |
| <I/σ(I)> | 16.8 | 4.7 |
| Completeness [%] | 99.1 | 91.8 |
| Redundancy | 4.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 295 | Batch under oil, paraffin oil, 0.1 M ammonium thiocyanate, 0.1 M sodium citrate, 40% (w/v) PEG 8000, pH 4.0, microbatch, temperature 295K |
