3FT9
X-ray Crystal structure of pollen allergen - Phl p 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-03 |
| Detector | MAR scanner 180 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 24.671, 46.767, 36.909 |
| Unit cell angles | 90.00, 91.99, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.17222 |
| Rwork | 0.169 |
| R-free | 0.22844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.409 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.890 | 2.099 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.050 | 0.050 |
| Number of reflections | 5096 | |
| <I/σ(I)> | 16222.7 | 19.45 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 25% PEG 3350, 0.1 M Bis-tris, 0.1 M NaCl, pH 5.5, VAPOR DIFFUSION, temperature 293K |
