3PCE
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1994-03-14 |
Detector | SIEMENS |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 196.570, 127.770, 134.630 |
Unit cell angles | 90.00, 97.70, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.060 |
R-factor | 0.169 * |
Rwork | 0.169 |
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] | 15.000 | 2.148 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.176 * | |
Total number of observations | 336503 * | |
Number of reflections | 161694 | |
<I/σ(I)> | 10.1 | 1.2 |
Completeness [%] | 79.8 | 37.8 |
Redundancy | 2.1 | 1.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | interface diffusion * | 8.4 | 20 * | or hanging drop vapor diffusion * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20-75 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 1.5-1.8 (M) | |
3 | 1 | reservoir | Tris-HCl | 50 (mM) | |
4 | 1 | reservoir | beta-mercaptoethanol | 10 (mM) |