8QL0
Structure of human PAD6 Phosphomimic mutant V10E/S446E, apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.323, 54.318, 106.785 |
| Unit cell angles | 90.00, 108.61, 90.00 |
Refinement procedure
| Resolution | 101.200 - 1.675 |
| R-factor | 0.1987 |
| Rwork | 0.197 |
| R-free | 0.24070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (22-FEB-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.200 | 1.851 |
| High resolution limit [Å] | 1.675 | 1.675 |
| Number of reflections | 41323 | 2067 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 78.8 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 15-18 % PEG 3350, 200-300 mM NaBr, 0.1 M bis-tris propane pH 6.5 |
