7XWI
structure of patulin-detoxifying enzyme with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-07-09 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.014, 64.818, 88.812 |
| Unit cell angles | 90.00, 107.17, 90.00 |
Refinement procedure
| Resolution | 34.960 - 2.220 |
| R-factor | 0.2023 |
| Rwork | 0.198 |
| R-free | 0.27670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xwh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.637 |
| 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] | 34.960 | 2.250 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.153 | 0.484 |
| Number of reflections | 45943 | 1834 |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG Smear Broad, 0.1 M MES pH 6.5 |
