3PCJ

STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 2-HYDROXYISONICOTINIC ACID N-OXIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1992-02-02
Detector	SIEMENS
Spacegroup name	I 1 2 1
Unit cell lengths	196.200, 127.100, 133.700
Unit cell angles	90.00, 97.70, 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	0.032
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	0.073 *
Total number of observations	341758 *
Number of reflections	154926
<I/σ(I)>	9.6	1.2
Completeness [%]	85.0	57
Redundancy	2.2	1.7

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	INO	2 (mM)
3	1	reservoir		1 (M)