5EM0
Crystal structure of mugwort allergen Art v 4
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] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.107, 59.180, 32.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.380 - 1.100 |
| R-factor | 0.1667 |
| Rwork | 0.165 |
| R-free | 0.19020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cqa |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.064 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.051 | 0.724 |
| Number of reflections | 44768 | |
| <I/σ(I)> | 36.78 | 2.1 |
| Completeness [%] | 96.4 | 90.8 |
| Redundancy | 4.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M HEPES, pH 8.5, 1.3 M Sodium Citrate |
