9V7M
The complex structure of HnH6H and hyoscyamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.205, 80.073, 47.802 |
| Unit cell angles | 90.00, 98.12, 90.00 |
Refinement procedure
| Resolution | 19.566 - 1.700 |
| R-factor | 0.168375849165 |
| Rwork | 0.167 |
| R-free | 0.19894 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.570 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.105 | 0.754 |
| Rpim | 0.044 | 0.316 |
| Number of reflections | 35429 | 1905 |
| <I/σ(I)> | 13.3 | 3.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.996 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Sodium acetate, 25% pEG4000 and 8% isopropanol |
