7D3A
flavone reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97849 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.969, 63.969, 192.262 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.618 - 2.552 |
| R-factor | 0.2005 |
| Rwork | 0.194 |
| R-free | 0.25790 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.976 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.590 |
| Number of reflections | 22019 | 12318 |
| <I/σ(I)> | 28.67 | |
| Completeness [%] | 99.9 | |
| Redundancy | 23.1 | |
| CC(1/2) | 0.887 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M magnesium formate dihydrate and 15 w/v polyethylene glycol 3350 |
