3PCN
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3,4-DIHYDROXYPHENYLACETATE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 296 |
Detector technology | AREA DETECTOR |
Collection date | 1994-10-11 |
Detector | SIEMENS |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 196.600, 127.500, 134.300 |
Unit cell angles | 90.00, 97.70, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.400 |
R-factor | 0.166 * |
Rwork | 0.166 |
Structure solution method | NATIVE MODEL PHASES |
RMSD bond length | 0.013 |
RMSD bond angle | 0.025 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.110 * | |
Total number of observations | 792401 * | |
Number of reflections | 127824 | |
<I/σ(I)> | 9.75 | 1.3 |
Completeness [%] | 97.0 | 89 |
Redundancy | 6.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.4 | 4 * | Ohlendorf, D.H., (1994) J.Mol.Biol., 244, 586. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 20-75 (mg/ml) | |
2 | 1 | drop | ammonium sulfate | 1.5-1.8 (M) | |
3 | 1 | drop | Tris | 50 (mM) | |
4 | 1 | drop | beta-mercaptoethanol | 10 (mM) |