2GAS
Crystal Structure of Isoflavone Reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 176.064, 53.000, 74.397 |
| Unit cell angles | 90.00, 112.72, 90.00 |
Refinement procedure
| Resolution | 81.000 - 1.600 |
| R-factor | 0.196 |
| Rwork | 0.193 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qyc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.059 | 0.455 |
| Number of reflections | 82425 | |
| <I/σ(I)> | 24.8 | 2.9 |
| Completeness [%] | 98.3 | 94.4 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.4M sodium citrate, 0.1M HEPES, 2% Pluronic F-68, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
