2BK0
Crystal structure of the major celery allergen Api G 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ROTATING GENERATOR |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.878, 67.947, 48.001 |
| Unit cell angles | 90.00, 91.18, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.900 |
| R-factor | 0.224 |
| Rwork | 0.221 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bv1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.053 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.960 | 2.830 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 7549 | |
| <I/σ(I)> | 8.3 | 1.36 |
| Completeness [%] | 90.1 | 93 |
| Redundancy | 1.65 | 1.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | VAPOUR DIFFUSION. RESERVOIR: 10% DIOXANE, 0.1M MES (PH 6.5), 1.6 M AMMONIUM SULFATE. PROTEIN: 35MG/ML IN 28 MM SODIUM PHOSPHATE (PH 7.0). |
