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 |
