2AY3

AROMATIC AMINO ACID AMINOTRANSFERASE WITH 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-05-01
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	123.870, 121.690, 55.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.400
R-factor	0.164
Rwork	0.164
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ay8
RMSD bond length	0.007
RMSD bond angle	23.200 *
Data reduction software	PROCESS ((RIGAKU))
Data scaling software	PROCESS ((RIGAKU))
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.800	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.085	0.160
Total number of observations	81817 *
Number of reflections	26603
<I/σ(I)>	108	16
Completeness [%]	99.1	97.9
Redundancy	3.1	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro-seeding *	5.7		pH 5.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	24.0 (%(w/v))
2	1	reservoir	sodium maleate	0.2 (M)
3	1	reservoir		5 (mM)