1D7L

STRUCTURE-FUNCTION CORRELATIONS OF THE REACTION OF REDUCED NICOTINAMIDE ANALOGS WITH P-HYDROXYBENZOATE HYDROXYLASE SUBSTITUTED WITH A SERIES OF 8-SUBSTITUTED FLAVINS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1996-10-10
Detector	SDMS
Spacegroup name	C 2 2 21
Unit cell lengths	70.802, 145.477, 86.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.184
Rwork	0.184
R-free	0.23500
RMSD bond length	0.007
RMSD bond angle	22.700 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	0.279
Number of reflections	22993
<I/σ(I)>	6.268
Completeness [%]	99.0	96.9
Redundancy	7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	interface diffusion *	7.4 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	p-OHB	2 (mM)
2	1	1	8-N(CH3)2-FAD	0.040 (mM)