2PHH

THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	71.700, 146.400, 89.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 * - 2.700
R-factor	0.168
RMSD bond length	0.015
RMSD bond angle	0.035
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.700 *
Rmerge	0.066 *
Total number of observations	19604 *
Number of reflections	9857 *
Completeness [%]	70.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	7.2 (mg/ml)
10	1	2	pOHB	1 (mM)
11	1	2	FAD	0.02 (mM)
12	1	2	EDTA	0.15 (mM)
13	1	2	GSH	0.10 (mM)
14	1	2		1.0 (M)
2	1	1	potasssium phosphate	100 (mM)
3	1	1	enzyme complex(pOHB)	1 (mM)
4	1	1	FAD	0.02 (mM)
5	1	1	EDTA	0.15 (mM)
6	1	1	GSH	0.10 (mM)
7	1	1	adenosine 5-diphosphoribose	60 (mM)
8	1	2	ammonium sulfate	70 (%sat)
9	1	2	potassium phisphate	100 (mM)