7B2T
Crystal structure of Iripin-5 serpin from Ixodes ricinus
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.239, 63.778, 81.994 |
| Unit cell angles | 90.00, 116.78, 90.00 |
Refinement procedure
| Resolution | 48.090 - 1.500 |
| R-factor | 0.1533 |
| Rwork | 0.153 |
| R-free | 0.18360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nda |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.090 | 1.590 |
| High resolution limit [Å] | 1.495 | 1.500 |
| Number of reflections | 112133 | 17637 |
| <I/σ(I)> | 11.17 | |
| Completeness [%] | 98.7 | |
| Redundancy | 11 | |
| CC(1/2) | 0.998 | 0.613 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | Magnesium Chloride hexahydrate, Tris, PEG 4000 |
