3EBK
Crystal structure of major allergens, Bla g 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 |
| Collection date | 2006-01-01 |
| Detector | ADSC |
| Wavelength(s) | 0.9797, 0.9799, 0.9600 |
| Spacegroup name | P 41 |
| Unit cell lengths | 60.166, 60.166, 124.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| Rwork | 0.218 |
| R-free | 0.25300 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.508 |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.064 | 0.048 | 0.500 |
| Number of reflections | 45386 | ||
| <I/σ(I)> | 43.189 | ||
| Completeness [%] | 99.9 | 99.5 | 100 |
| Redundancy | 15 | 14.9 | 14.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 7.5 | 298 | 0.1M HEPES, 1.5M sodium citrate, 3% acetone, pH 7.5, hanging drop, temperature 298K |
