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 |