1CJ2

MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1998-11-28
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	71.800, 146.500, 88.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.144 *
Rwork	0.144
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pbe
RMSD bond length	0.010
RMSD bond angle	24.200 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	8.000
High resolution limit [Å]	2.800
Rmerge	0.071 *
Number of reflections	8809
<I/σ(I)>	12
Completeness [%]	91.7
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		39% AMMONIUMSULFATE, 100 MM SODIUM PHOSPHATE, 0.04 MM FAD, 0.15 MM EDTA, 60 MM SODIUM SULFITE, 1 MM P-HYDROXYBENZOATE, pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10-15 (mg/ml)
2	1	drop	potassium phosphate	100 (mM)
3	1	reservoir	ammonium sulfate	40 (%)
4	1	reservoir	FAD	0.04 (mM)
5	1	reservoir	EDTA	0.15 (mM)
6	1	reservoir	POHB	2 (mM)
7	1	reservoir	sodium sulfite	30 (mM)
8	1	reservoir	potassium phosphate	100 (mM)