7XWL
structure of patulin-detoxifying enzyme Y155F/V187F with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-12-09 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.328, 65.026, 89.155 |
| Unit cell angles | 90.00, 107.26, 90.00 |
Refinement procedure
| Resolution | 40.500 - 2.020 |
| R-factor | 0.1938 |
| Rwork | 0.191 |
| R-free | 0.25660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xwh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.540 |
| 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] | 40.500 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.147 | 0.435 |
| Number of reflections | 61436 | 2609 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG Smear Broad, 0.1 M MES pH 6.5 |
