1IUW

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

Experimental procedure

Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	C 2 2 21
Unit cell lengths	71.790, 146.590, 88.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.172
Rwork	0.172
RMSD bond length	0.009
RMSD bond angle	1.551
Data reduction software	SDMS
Data scaling 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	0.090	0.284
Number of reflections	31420
<I/σ(I)>	7.95	3.1
Completeness [%]	99.1	98.82
Redundancy	11.6	7.8

Crystallization Conditions

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