7XWM
structure of patulin-detoxifying enzyme Y155F/V187K with NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-11-16 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.338, 64.902, 89.279 |
| Unit cell angles | 90.00, 107.74, 90.00 |
Refinement procedure
| Resolution | 36.170 - 1.980 |
| R-factor | 0.2032 |
| Rwork | 0.200 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xwh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.510 |
| 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] | 36.170 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.146 | 0.422 |
| Number of reflections | 65000 | 2828 |
| <I/σ(I)> | 7.73 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 22-23%PEG Smear Broad, 0.1 M MES pH 6.5 |
