1DOC

THE MOBIL FLAVIN OF 4-OH BENZOATE HYDROXYLASE: MOTION OF A PROSTHETIC GROUP REGULATES CATALYSIS

Experimental procedure

Spacegroup name	C 2 2 21
Unit cell lengths	71.680, 146.720, 88.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.173
Rwork	0.173
RMSD bond length	0.010
RMSD bond angle	1.559
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.097 *
Number of reflections	31516 *
Completeness [%]	99.5 *
Redundancy	7.10 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	free interface diffusion *	7.5 *	4-20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	drop	p-hydroxybenzoate	2 (mM)
3	1	drop	FAD	0.04 (mM)
4	1	drop	EDTA	0.3 (mM)
5	1	drop	sodium sulphite	30 (mM)
6	1	drop	phosphate	0.1 (M)
7	1	reservoir	ammonium sulfate	70 (%sat)
8	1	reservoir	phosphate	0.1 (M)