3NDA
Crystal structure of serpin from tick Ixodes ricinus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.953 |
| Spacegroup name | P 43 |
| Unit cell lengths | 84.575, 84.575, 124.412 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.17283 |
| Rwork | 0.171 |
| R-free | 0.21222 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hle |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.220 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.520 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.046 | 0.358 |
| Number of reflections | 80249 | |
| <I/σ(I)> | 32.8 | 2.3 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20mM HEPES pH 7.2, 0.075M MES pH 6.5, 9 % (w/v) PEG 20000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
