5NZC
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-08 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.402, 90.521, 83.172 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.586 - 1.999 |
R-factor | 0.2071 |
Rwork | 0.206 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nzb |
RMSD bond length | 0.006 |
RMSD bond angle | 0.905 |
Data scaling software | XDS |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.590 | 2.120 |
High resolution limit [Å] | 1.999 | 2.000 |
Rmerge | 0.074 | 0.547 |
Rmeas | 0.081 | 0.605 |
Number of reflections | 19093 | |
<I/σ(I)> | 14.35 | 3.13 |
Completeness [%] | 98.4 | 97.2 |
Redundancy | 5.67 | 5.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris pH 8.5, 2.0 M Ammonium sulfate |