1K9U
Crystal Structure of the Calcium-Binding Pollen Allergen Phl p 7 (Polcalcin) at 1.75 Angstroem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8482 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.084, 56.205, 37.238 |
| Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
| Resolution | 14.000 * - 1.750 |
| Rwork | 0.192 |
| R-free | 0.22520 * |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 18.760 * |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.047 * | 0.185 * |
| Total number of observations | 122317 * | |
| Number of reflections | 13072 | |
| <I/σ(I)> | 35.3 | 7.9 |
| Completeness [%] | 100.0 | 100 * |
| Redundancy | 4.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.3 | 20 * | ammonium sulfate, PEG 4000, alanine/HCl, pH 3.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.0 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | reservoir | PEG4000 | 24-28 (%) | |
| 4 | 1 | reservoir | alanine/HCl | 0.1 (M) | pH3.2-3.4 |
