1K46
Crystal Structure of the Type III Secretory Domain of Yersinia YopH Reveals a Domain-Swapped Dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-11 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.900, 120.700, 48.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.000 - 2.200 |
| R-factor | 0.224 * |
| Rwork | 0.224 |
| R-free | 0.25800 * |
| Structure solution method | MIR |
| Starting model (for MR) | de novo |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.115 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.136 |
| Total number of observations | 68285 * | |
| Number of reflections | 7503 | 720 * |
| <I/σ(I)> | 20.8 | 16.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.2 * | 22 * | PEG 8000, sodium chlolride, Tris , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 10 (mM) | ||
| 2 | 1 | drop | EDTA | 1 (mM) | |
| 3 | 1 | drop | beta-mercaptoethanol | 0.1 (%) | |
| 4 | 1 | drop | imidazole | 10 (mM) | pH7.2 |
| 5 | 1 | drop | protein | 10 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 2-10 (%) | |
| 7 | 1 | reservoir | 90-100 (mM) | ||
| 8 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
