2AY2

AROMATIC AMINO ACID AMINOTRANSFERASE WITH CYCLOHEXANE PROPIONIC ACID

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-09-10
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	123.950, 121.860, 55.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.400
R-factor	0.166
Rwork	0.166
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ay8
RMSD bond length	0.006
RMSD bond angle	22.800 *
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]	122.000	2.500
High resolution limit [Å]	2.400	2.200
Rmerge	0.062	0.177
Total number of observations	86693 *
Number of reflections	27153
<I/σ(I)>	178	25.5
Completeness [%]	97.7	97.7
Redundancy	3.2	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro-seeding *	6.4		pH 6.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	24.0 (%)
2	1	reservoir	sodium citrate	0.1 (M)
3	1	reservoir	cyclohexane propionic acid	0.1 (M)