3PCA
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYBENZOATE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | AREA DETECTOR |
Collection date | 1995-03-05 |
Detector | SIEMENS |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 196.300, 127.200, 133.800 |
Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
R-factor | 0.165 * |
Rwork | 0.165 |
Structure solution method | NATIVE MODEL PHASES |
RMSD bond length | 0.015 |
RMSD bond angle | 0.027 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.400 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.102 * | |
Total number of observations | 710887 * | |
Number of reflections | 150371 | |
<I/σ(I)> | 10.3 | 1.3 |
Completeness [%] | 96.0 | 89.2 * |
Redundancy | 4.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 5.5 * | pH 8.4 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 80 (mg/ml) | |
2 | 1 | 2 | ammonium sulfate |