3FT1
Crystal structure of pollen allergen Phl p 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8148 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.068, 74.447, 56.693 |
| Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.790 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1who |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.550 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.073 | |
| Number of reflections | 34582 | |
| <I/σ(I)> | 149.7 | |
| Completeness [%] | 99.8 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 25% PEG 3350, 0.1 M Bis-tris, 0.1 M NaCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
