3OB4
MBP-fusion protein of the major peanut allergen Ara h 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-18 |
Detector | MARCCD300 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.847, 87.381, 113.137 |
Unit cell angles | 90.00, 103.93, 90.00 |
Refinement procedure
Resolution | 44.567 - 2.706 |
R-factor | 0.1868 |
Rwork | 0.183 |
R-free | 0.25560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dmo |
RMSD bond length | 0.005 |
RMSD bond angle | 0.839 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.4_6)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 16353 | |
<I/σ(I)> | 7.9 | 2.3 |
Completeness [%] | 91.7 | 49.6 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1M sodium citrate 1.8M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |