8FIP
Hypothetical anthocyanidin reducatase from Sorghum bicolor- NADP+ complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2022-10-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 86.628, 90.219, 103.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.500 - 1.700 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.500 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.066 | |
| Number of reflections | 89947 | 8878 |
| <I/σ(I)> | 19.49 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1 sodium chloride, 0.1 M, HEPES, pH 7.5, 1.6 M ammonium sulfate |
