1IUT

P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE AT PH 7.4

Experimental procedure

Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.730, 146.490, 87.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.166
Rwork	0.166
RMSD bond length	0.010
RMSD bond angle	24.210 *
Data reduction software	SDMS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.111 *	0.244
Number of reflections	31490 *
<I/σ(I)>	11.1
Completeness [%]	99.6	98.39
Redundancy	8.74 *	6.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	interface diffusion *	7.4	23 *	pH 7.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PHBH	10 (mg/ml)
2	1	1	potassium phosphate	0.1 (M)
3	1	1	p-ABA	4 (mM)
4	1	1	FAD	0.004 (mM)
5	1	1	glutathione	0.2 (mM)
6	1	2	ammonium sulfate	71 (%sat)
7	1	2	potassium phosphate	0.1 (M)