3ZZJ

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	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	85.139, 154.200, 79.931
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.500
R-factor	0.21899
Rwork	0.217
R-free	0.26231
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aaw
RMSD bond length	0.006
RMSD bond angle	0.947
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]	44.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.030	0.150
Number of reflections	18589
<I/σ(I)>	43.7	14.1
Completeness [%]	99.9	100
Redundancy	8.5	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		pH 8.0