8I1M
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 180 |
| Detector technology | PIXEL |
| Collection date | 2022-01-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.352, 51.361, 32.397 |
| Unit cell angles | 90.00, 91.94, 90.00 |
Refinement procedure
| Resolution | 46.848 - 1.699 |
| R-factor | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.22990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ofx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.035 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.699 | 3.660 | 1.700 |
| Rmerge | 1.004 | 0.036 | 0.462 |
| Number of reflections | 18780 | 2108 | 1149 |
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 90.3 | 98.7 | 56.7 |
| Redundancy | 5.9 | 6.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2.0 M Ammonium sulfate, 0.1 M HEPES, pH7.5 and 2% w/v PEG4000 |
