1IUV

P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 5.0

Experimental procedure

Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	SDMS
Spacegroup name	C 2 2 21
Unit cell lengths	71.650, 146.430, 88.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.500
R-factor	0.173
Rwork	0.173
RMSD bond length	0.011
RMSD bond angle	23.980 *
Data reduction software	SDMS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.097	0.310
Number of reflections	16343
<I/σ(I)>	9	2.21
Completeness [%]	99.3	97.61
Redundancy	6.32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	interface diffusion *	7.4 *	4-23 *	pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PHBH	10 (mg/ml)	0.005ml
2	1	1	potassium phosphate	0.1 (M)
3	1	1	p-OHB	2 (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)