3PCL
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE AND CYANIDE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | AREA DETECTOR |
Collection date | 1994-05-10 |
Detector | SIEMENS |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 195.700, 128.000, 134.200 |
Unit cell angles | 90.00, 97.80, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.150 |
R-factor | 0.184 * |
Rwork | 0.184 |
Structure solution method | NATIVE MODEL PHASES |
RMSD bond length | 0.018 |
RMSD bond angle | 0.030 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.115 * | |
Total number of observations | 420547 * | |
Number of reflections | 169385 | |
<I/σ(I)> | 8.2 | 1.2 |
Completeness [%] | 94.0 | 85 |
Redundancy | 2.5 | 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) | d |
2 | 1 | drop | INO | 20 (mM) | |
3 | 1 | drop | 200 (mM) | ||
4 | 1 | reservoir | 1 (M) |