4AUD
Crystal structure of alternaria alternata major allergen alt a 1
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-15 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 141.370, 141.370, 141.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.964 - 2.670 |
R-factor | 0.1974 |
Rwork | 0.195 |
R-free | 0.24030 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.009 |
RMSD bond angle | 1.199 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.230 | 2.810 |
High resolution limit [Å] | 2.670 | 2.670 |
Rmerge | 0.090 | 0.590 |
Number of reflections | 14251 | |
<I/σ(I)> | 11.4 | 2.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 4M SODIUM SULFATE, 100MM HEPES, 50MM CADMIUM SULFATE, PH 7.4 |