1BXG

PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	270
Detector technology	AREA DETECTOR
Collection date	1998-05
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	65.510, 116.960, 111.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
Rwork	0.170
Structure solution method	OTHER
RMSD bond length	0.013
RMSD bond angle	15.977 *
Data reduction software	XDS
Data scaling software	XCALIBRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.250
Total number of observations	73548 *
Number of reflections	34077	3428 *
<I/σ(I)>	6.7	1.6
Completeness [%]	88.0	72
Redundancy	2	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.7	4 *	pH 8.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	NAD+	10 (mM)
3	1	drop	sodium potassium phosphate	2.70 (M)
4	1	drop	CHES	100 (mM)
5	1	drop	beta-phenylpropionate	10 (mM)
6	1	drop	2-propanol	4 (%(v/v))