8R28
Crystal structure of Amacstatin-1, a cystatin from the hard tick Amblyomma maculatum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-16 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.541870 |
| Spacegroup name | P 65 |
| Unit cell lengths | 98.411, 98.411, 27.579 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.425 - 1.807 |
| Rwork | 0.161 |
| R-free | 0.20230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.610 | 1.840 |
| High resolution limit [Å] | 1.807 | 1.807 |
| Rmerge | 0.068 | 0.129 |
| Rmeas | 0.177 | |
| Number of reflections | 13304 | 183 |
| <I/σ(I)> | 80.7 | |
| Completeness [%] | 92.1 | 21.5 |
| Redundancy | 4.5 | 1.3 |
| CC(1/2) | 0.998 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M ammonium phosphate, 0.1 M Tris-HCl pH 8.5, 50% (v/v) MPD |
