7RGE
Crystal structure of phosphoadenylyl-sulfate (PAPS) reductase from Candida auris, phosphate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-11-21 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 109.508, 132.000, 44.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.260 - 2.380 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oq2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.582 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.420 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.059 | 0.863 |
| Rpim | 0.027 | 0.437 |
| Number of reflections | 13451 | 662 |
| <I/σ(I)> | 24.78 | 1.06 |
| Completeness [%] | 100.0 | |
| Redundancy | 6 | |
| CC(1/2) | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M sodium chloride, 0.1 M HEPES, pH 7.5, 25% w/v PEG3350, 1 mM AMP |
