7XWH
structure of patulin-detoxifying enzyme with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-06-17 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.358, 64.927, 88.984 |
| Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
| Resolution | 35.600 - 2.310 |
| R-factor | 0.1904 |
| Rwork | 0.186 |
| R-free | 0.27200 |
| Structure solution method | MIR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.737 |
| Data reduction software | SAINT |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.600 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.011 | 0.350 |
| Number of reflections | 41102 | 2024 |
| <I/σ(I)> | 5.78 | |
| Completeness [%] | 99.1 | 95.8 |
| Redundancy | 2.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG Smear Broad, 0.1 M MES pH 6.5 |
