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 |