5H03
Crystal structure of an ADP-ribosylating toxin BECa from C. perfringens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-06-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.847, 94.002, 121.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.123 - 1.890 |
| R-factor | 0.2123 |
| Rwork | 0.209 |
| R-free | 0.25770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gir |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.039 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (8.0SSI) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.120 | 37.120 | 1.960 |
| High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
| Rmerge | 0.095 | 0.039 | 0.426 |
| Number of reflections | 31752 | ||
| <I/σ(I)> | 13 | 39.9 | 4.2 |
| Completeness [%] | 98.4 | 98.2 | 88.1 |
| Redundancy | 9.54 | 9.88 | 6.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 100 mM Tris-HC, 450 mM magunesium chloride, 23% PEG4000 |
