5TI8

Crystal Structure of an aspartate aminotransferase from Pseudomonas

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	76.444, 95.429, 114.449
Unit cell angles	90.00, 100.21, 90.00

Refinement procedure

Resolution	47.700 - 2.070
R-factor	0.18701
Rwork	0.184
R-free	0.23765
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a6t
RMSD bond length	0.017
RMSD bond angle	1.741
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.130
High resolution limit [Å]	2.070	2.070
Rmerge	0.107	0.773
Number of reflections	49266
<I/σ(I)>	11.2	2.6
Completeness [%]	100.0	100
Redundancy	7.2	7.3
CC(1/2)	0.997	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	0.066 M calcium acetate, 18 % w/v PEG MME 5K, 0.1 M tris chloride pH 7.6, protein at 10.5 mg/mL; 150 plus 150 nL drops at 293 K