3NCW
Crystal structure of EHEC O157:H7 intimin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 235.157, 44.810, 129.116 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| Rwork | 0.254 |
| R-free | 0.29620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f00 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.646 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.210 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.230 | 0.432 |
| Total number of observations | 109738 | |
| Number of reflections | 32396 | |
| <I/σ(I)> | 4.1 | 2.4 |
| Completeness [%] | 96.3 | 92.7 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 15% PEG 20000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
