6FRR
Structural and immunological properties of the allergen Art v 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8856 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.398, 60.398, 91.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.405 - 1.948 |
R-factor | 0.1956 |
Rwork | 0.193 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2alg |
RMSD bond length | 0.007 |
RMSD bond angle | 0.828 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.310 | 2.050 |
High resolution limit [Å] | 1.948 | 1.950 |
Rmerge | 0.083 | 0.310 |
Number of reflections | 14608 | 2087 |
<I/σ(I)> | 17.2 | 6.7 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 6.4 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.2 M ammonium sulphate, 0.1 M HEPES, pH 7.0 |