6SH0
Crystal structure of AcAChBP in complex with anatoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.968, 129.872, 131.322 |
| Unit cell angles | 90.00, 103.17, 90.00 |
Refinement procedure
| Resolution | 59.770 - 2.500 |
| R-factor | 0.2546 |
| Rwork | 0.253 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xys |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.093 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 127.870 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.228 | 0.662 |
| Rpim | 0.089 | 0.286 |
| Number of reflections | 119138 | 5811 |
| <I/σ(I)> | 7.4 | 1.8 |
| Completeness [%] | 99.5 | 99.3 |
| Redundancy | 11.8 | 9.3 |
| CC(1/2) | 0.982 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Reservoir solution: 8% PEG 4K, 0.1 M NaOAc pH 4.6 Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 4mg/ml |
