3EHK
Crystal structure of Pru du amandin, an allergenic protein from prunus dulcis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-07 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 151.099, 151.099, 164.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.310 - 3.200 |
R-factor | 0.25679 |
Rwork | 0.254 |
R-free | 0.27899 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ud1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.891 |
Data reduction software | AUTOMAR |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.137 | 0.310 |
Number of reflections | 59067 | |
<I/σ(I)> | 4.1 | 1.7 |
Completeness [%] | 96.6 | 98.4 |
Redundancy | 2.56 | 2.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris-HCl (pH8.5), 2.0M Ammonium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |