8JP1
Crystal structure of AKR1C3 in complex with DFV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54055 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.905, 108.373, 75.098 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 13.090 - 2.000 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.056 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((dev_3283: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.090 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.195 |
| Number of reflections | 50251 | 4952 |
| <I/σ(I)> | 11.9 | 3.7 |
| Completeness [%] | 98.0 | 97 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.991 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 15-20% (w/v) PEG 8000, 100 mM MES and 0.14 M NaCl |
