5DAE
Kazal type inhibitor from salivary glands of Aedes aegypti mosquito
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.136, 65.167, 27.662 |
| Unit cell angles | 90.00, 116.50, 90.00 |
Refinement procedure
| Resolution | 32.584 - 1.400 |
| R-factor | 0.1827 |
| Rwork | 0.180 |
| R-free | 0.23040 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.405 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | PHENIX ((dev_2006: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.200 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.070 | 1.398 |
| Number of reflections | 16291 | |
| <I/σ(I)> | 11 | 1.2 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | sodium acetate, PEG 3350, PEG 400, Dioxane |
