5DHL
Crystal structure of Toxin, mutant N197W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.629, 212.398, 46.958 |
| Unit cell angles | 90.00, 97.17, 90.00 |
Refinement procedure
| Resolution | 45.250 - 2.670 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1PF0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.590 | 2.770 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.118 | 0.904 |
| Number of reflections | 44020 | |
| <I/σ(I)> | 7.9 | 1.5 |
| Completeness [%] | 98.7 | 94.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 9% PEG 6000, 100 mM HEPES pH 7.0, 2% v/v dioxane |
