4A00

Structure of an engineered aspartate aminotransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	C 2 2 21
Unit cell lengths	85.149, 153.999, 80.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.090 - 2.340
R-factor	0.20823
Rwork	0.206
R-free	0.25613
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aaw
RMSD bond length	0.015
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.100	2.470
High resolution limit [Å]	2.340	2.340
Rmerge	0.040	0.200
Number of reflections	22587
<I/σ(I)>	26.9	8.6
Completeness [%]	99.8	100
Redundancy	6.8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		pH 8.0