1PBF

CRYSTAL STRUCTURES OF WILD-TYPE P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-AMINOBENZOATE, 2,4-DIHYDROXYBENZOATE AND 2-HYDROXY-4-AMINOBENZOATE AND OF THE TRY222ALA MUTANT, COMPLEXED WITH 2-HYDROXY-4-AMINOBENZOATE. EVIDENCE FOR A PROTON CHANNEL AND A NEW BINDING MODE OF THE FLAVIN RING

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	72.200, 146.500, 88.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.148
Rwork	0.148
RMSD bond length	0.009
RMSD bond angle	1.560
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.700 *
Rmerge	0.086 *
Number of reflections	11648 *
Completeness [%]	87.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	potassium phosphate	10 (mg/ml)
3	1	reservoir	ammonium sulfate	50 (%sat)
4	1	reservoir	FAD	0.04 (mM)
5	1	reservoir	EDTA	0.30 (mM)
6	1	reservoir	substrate analogue	2 (mM)
7	1	reservoir	sodium sulfite	20 (mM)
8	1	reservoir	potassium phosphate	0.1 (M)