8HPG
Crystal structure of phenylpyruvate reductase from Lactobacillus sp. CGMCC 9967
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-10 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.54184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.896, 48.970, 89.896 |
Unit cell angles | 90.00, 116.72, 90.00 |
Refinement procedure
Resolution | 23.490 - 3.895 |
R-factor | 0.25875 |
Rwork | 0.258 |
R-free | 0.27950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.532 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | SHELXCD |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.490 | 4.470 |
High resolution limit [Å] | 3.890 | 3.890 |
Rmerge | 0.141 | 0.371 |
Rpim | 0.062 | |
Number of reflections | 3064 | 925 |
<I/σ(I)> | 7.29 | |
Completeness [%] | 86.7 | 54.7 |
Redundancy | 2 | 1.9 |
CC(1/2) | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 3.5 | 293.15 | PEG 1000, Citric acid, B-Nicotinamide adeinie dinucleotide |