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 |