1B4U

PROTOCATECHUATE 4,5-DIOXYGENASE (LIGAB) IN COMPLEX WITH PROTOCATECHUATE (PCA)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	1998-07-29
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	65.400, 66.500, 119.800
Unit cell angles	90.00, 92.50, 90.00

Refinement procedure

Resolution	60.000 - 2.200
R-factor	0.161 *
Rwork	0.161
R-free	0.22000
Structure solution method	MIRAS
RMSD bond length	0.016
RMSD bond angle	0.038
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	60.000
High resolution limit [Å]	2.200
Rmerge	0.055
Total number of observations	91377 *
Number of reflections	45587
<I/σ(I)>	11
Completeness [%]	91.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	Sugimoto, K., (1999) Protein Peptide Lett., 6, 55. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	37.0 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)
3	1	reservoir	ammonium sulfate	50 (%sat)
4	1	reservoir	Tris-HCl	100 (mM)