5XGL
Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin LvIA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.389, 83.991, 209.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.438 - 3.439 |
| R-factor | 0.2412 |
| Rwork | 0.239 |
| R-free | 0.28260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5co5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.660 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.438 | 3.560 |
| High resolution limit [Å] | 3.400 | 3.440 |
| Rmerge | 0.170 | 0.876 |
| Number of reflections | 18406 | |
| <I/σ(I)> | 8.5 | 3 |
| Completeness [%] | 98.0 | |
| Redundancy | 5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1M Bis-Tris propane PH 7.0 |
