8Z6O
Crystal structure of HDGFRP2 PWWP domain in complex with Varenicline
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 | 2022-01-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.054, 39.012, 41.720 |
| Unit cell angles | 63.16, 70.31, 73.59 |
Refinement procedure
| Resolution | 36.100 - 1.550 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.21450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.791 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.100 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.051 | 0.346 |
| Number of reflections | 25245 | 1177 |
| <I/σ(I)> | 12.9 | 2.7 |
| Completeness [%] | 94.8 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.997 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.08 M magnesium acetate tetrahydrate, 0.05 M sodium cacodylate trihydrate (pH 6.5), 30% w/v polyethylene glycol 4000 solution |
