5EGW
2.70 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9801 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.450, 89.550, 104.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.780 - 2.700 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s4v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.000 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 21824 | |
<I/σ(I)> | 12.9 | 1.25 |
Completeness [%] | 99.0 | 93.7 |
Redundancy | 7.44 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | protein buffer:20 mM Tris HCl pH 8.5, 150 mM NaCl, 5% (v/v) glycerol; precipitant solution: 100 mM trisodium citrate, 20% PEG 4000, 20% isopropanol |