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 |