7MJR
Vip4Da2 toxin structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-08 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.517, 221.374, 154.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.050 - 3.220 |
| R-factor | 0.1992 |
| Rwork | 0.196 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Vip4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.307 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.050 | 3.360 |
| High resolution limit [Å] | 3.220 | 3.220 |
| Rmerge | 0.162 | 1.077 |
| Number of reflections | 31927 | 1564 |
| <I/σ(I)> | 23.3 | 2.45 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6.8 |
| CC(1/2) | 0.948 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Crystals were obtained in 0.1 M Bis-Tris at pH 6.5, 1.8 M ammonium sulfate, and 2% (w/v) PEG MME 550 |
