3PCD

PROTOCATECHUATE 3,4-DIOXYGENASE Y447H MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1996-02-21
Detector	SIEMENS
Spacegroup name	I 1 2 1
Unit cell lengths	197.400, 127.200, 134.600
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	6.000 - 2.100
R-factor	0.18 *
Rwork	0.180
Structure solution method	NATIVE MODEL PHASES
RMSD bond length	0.018
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]	10.000	2.170
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.072 *	0.107 *
Total number of observations	333815 *
Number of reflections	161689
<I/σ(I)>	7.4	1
Completeness [%]	78.0	51
Redundancy	2.1	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.4	20 *	pH 8.4

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)