3PCK
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 6-HYDROXYNICOTINIC ACID N-OXIDE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | AREA DETECTOR |
Collection date | 1994-02-07 |
Detector | SIEMENS |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 196.900, 127.800, 134.400 |
Unit cell angles | 90.00, 97.80, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.130 |
R-factor | 0.173 * |
Rwork | 0.173 |
Structure solution method | NATIVE MODEL PHASES |
RMSD bond length | 0.017 |
RMSD bond angle | 0.029 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.260 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.101 * | |
Total number of observations | 464372 * | |
Number of reflections | 161912 | |
<I/σ(I)> | 10.1 | 1.2 |
Completeness [%] | 88.0 | 51 |
Redundancy | 2.9 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 8.4 | 1 equiv of NaOH was added to adjust the pH * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 80 (mg/ml) | |
2 | 1 | drop | NNO | 40 (mM) |