1L3P
CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-10-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.2 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 38.975, 50.355, 107.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 1.980 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.24100 |
| Structure solution method | SIRAS |
| Starting model (for MR) | HG DERIVATIVE |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 21.300 * |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.041 | 0.117 |
| Total number of observations | 56414 * | |
| Number of reflections | 7641 * | |
| <I/σ(I)> | 31.21 | 12.23 |
| Completeness [%] | 96.5 | 92.1 * |
| Redundancy | 7.38 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4 | 295 * | 1.6M phosphate, 0.5mM MgCl2, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | reservoir | phosphate | 1.6 (M) | pH4.0 |
| 3 | 1 | reservoir | 0.5 (mM) | ||
| 4 | 1 | reservoir | ATP | 0.1 (mM) |
