8Z6C
Crystal structure of HDGFRP2 PWWP domain in complex with 4-(4-bromo-1H-pyrazol-3-yl) pyridine
This is a non-PDB format compatible entry.
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 | 2023-07-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.140, 42.371, 159.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.400 - 1.930 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.939 |
| Data reduction software | XDS (Jun 30, 2023) |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.370 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.115 | 0.906 |
| Number of reflections | 21227 | 1428 |
| <I/σ(I)> | 14.2 | 2.9 |
| Completeness [%] | 95.1 | 100 |
| Redundancy | 12.6 | |
| CC(1/2) | 0.997 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.01 M magnesium sulfate heptahydrate, 0.05 M sodium cacodylate trihydrate (pH 6.5), 2 M ammonium sulfate |
