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