3TSJ
Crystal structure of Phl p 4, a grass pollen allergen with glucose dehydrogenase activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-11-29 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.774, 153.437, 177.631 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.940 - 2.000 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PHL P 4 FROM THE P6122 SPACE GROUP |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.443 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.940 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.284 |
| Number of reflections | 69488 | |
| <I/σ(I)> | 9.9 | 2.5 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350, 10mM Glucose , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
