1PXZ
1.7 Angstrom Crystal Structure of jun a 1, the major allergen from cedar pollen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-11-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.636, 115.005, 73.525 |
| Unit cell angles | 90.00, 95.82, 90.00 |
Refinement procedure
| Resolution | 100.000 - 1.700 |
| R-factor | 0.1931 |
| Rwork | 0.193 |
| R-free | 0.24100 |
| Structure solution method | MIR |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 89001 | |
| <I/σ(I)> | 14.5 | 4.1 |
| Completeness [%] | 91.3 | 47.5 |
| Redundancy | 3.2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | PEG 4000, ammonium acetate, sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
