3INO
1.95A Resolution Structure of Protective Antigen Domain 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.735, 35.851, 129.090 |
| Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1acc |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.930 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.068 | 0.291 |
| Number of reflections | 20573 | |
| <I/σ(I)> | 25.127 | 4.302 |
| Completeness [%] | 97.7 | 87.1 |
| Redundancy | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 277 | 20% PEG 8000, 100mM imidazole, 3% MPD, pH 6.5, vapor diffusion, temperature 277K |
