1SQD
Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-11-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.400, 83.600, 63.500 |
Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.800 |
R-factor | 0.226 |
Rwork | 0.216 |
R-free | 0.26600 |
Structure solution method | MIR |
RMSD bond length | 0.025 |
RMSD bond angle | 0.041 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.041 | 0.269 |
Number of reflections | 187153 | |
Completeness [%] | 98.9 | 89.2 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | PEG 4000, isopropanol, Bis-tris, potassium chloride, cobalt chloride, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |