1YKJ
A45G p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 69.860, 85.897, 146.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.510 - 2.000 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iuw |
RMSD bond length | 0.017 |
RMSD bond angle | 1.900 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 31.600 |
High resolution limit [Å] | 1.740 |
Rmerge | 0.090 |
Number of reflections | 76039 |
<I/σ(I)> | 4.6 |
Completeness [%] | 84.0 |
Redundancy | 11.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 310 | ammonium sulfate, tris-sulfate, fad, edta, glutathion, sodium sulfite, p-hydroxybenzoate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K |