4ESP
Crystal Structure of Peanut Allergen Ara h 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-03 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.574, 58.574, 101.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.760 - 1.100 |
| R-factor | 0.1687 |
| Rwork | 0.168 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.036 |
| RMSD bond angle | 2.954 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.760 | 38.360 | 1.120 |
| High resolution limit [Å] | 1.100 | 2.990 | 1.100 |
| Rmerge | 0.172 | 0.161 | 0.471 |
| Number of reflections | 71959 | ||
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 99.6 | 93.8 | 98.8 |
| Redundancy | 26.4 | 18.2 | 15.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2 M Sodium citrate tribasic dihydrate, 0.1 M Sodium cacodylate trihydrate, 15% v/v 2-Propanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
