1IUS

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

Experimental procedure

Temperature [K]	295
Detector technology	AREA DETECTOR
Detector	SDMS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.710, 146.570, 88.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.167
Rwork	0.167
RMSD bond length	0.010
RMSD bond angle	24.040 *
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 *
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.113 *	0.302 *
Number of reflections	23957 *
<I/σ(I)>	2.01
Completeness [%]	99.9 *	99.9 *
Redundancy	8.34 *	6.81 *

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-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)