1PBB

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	72.300, 146.200, 89.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.500
R-factor	0.158
Rwork	0.158
RMSD bond length	0.009
RMSD bond angle	1.530
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.500 *
Rmerge	0.039 *
Number of reflections	15242 *
Completeness [%]	91.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface liquid-liquid diffusion *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	38 (%sat)
2	1	1	potassium phosphate	0.1 (M)
3	1	1	FAD	0.04 (mM)
4	1	1	EDTA	0.3 (mM)
5	1	1	2,4-dihydroxybenzoate	20 (mM)	or 4-aminobenzoate