8FIO
Hypothetical anthocyanidin reductase from Sorghum bicolor-NADP(H) and naringenin 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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.089, 112.787, 122.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.580 - 1.970 |
| R-factor | 0.1942 |
| Rwork | 0.193 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.624 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.580 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.089 | |
| Number of reflections | 55230 | 3590 |
| <I/σ(I)> | 8.25 | |
| Completeness [%] | 93.8 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.991 | 0.327 |
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 |
