1N10
Crystal Structure of Phl p 1, a Major Timothy Grass Pollen Allergen
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2002-06-29 |
Detector | MARRESEARCH |
Wavelength(s) | 1.01 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.685, 65.526, 144.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.900 |
R-factor | 0.243 |
Rwork | 0.239 |
R-free | 0.26700 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.550 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.036 | 0.140 |
Number of reflections | 12934 | |
<I/σ(I)> | 39.6 | 8.2 |
Completeness [%] | 98.6 | 84.3 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 4000, ammonium sulfate, tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |