3EBW
Crystal structure of major allergens, Per a 4 from cockroaches
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC |
| Wavelength(s) | 0.9796, 0.9798, 0.9600 |
| Spacegroup name | P 41 |
| Unit cell lengths | 62.985, 62.985, 143.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.500 - 2.800 |
| Rwork | 0.231 |
| R-free | 0.27600 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.551 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.047 | 0.028 | 0.473 |
| Number of reflections | 30335 | ||
| <I/σ(I)> | 35.469 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 5.7 | 5.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 10% PEG 4000, 2M NaCl, 3 % acetone, pH 7.5, hanging drop, temperature 298K |
