2AY7

AROMATIC AMINO ACID AMINOTRANSFERASE WITH 4-PHENYLBUTYRIC ACID

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-08-04
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	124.080, 121.790, 55.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.400
R-factor	0.157
Rwork	0.157
R-free	0.21900
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]	100.000	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.074	0.147
Total number of observations	76988 *
Number of reflections	24918
<I/σ(I)>	113	16
Completeness [%]	98.0	98.2
Redundancy	3.1	1.1

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)