6D0A

Crystal structure of Kynurenine Aminotransferase-II in apo-form, at 1.47 A resolution

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	2017-08-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	102.765, 102.765, 86.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.958 - 1.468
R-factor	0.173889680561
Rwork	0.174
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eun
RMSD bond length	0.009
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX ((1.12-2829:2017))
Refinement software	phenix.refine (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.958	1.521
High resolution limit [Å]	1.468	1.468
Rmerge	0.058	0.269
Rmeas	0.060	0.275
Rpim	0.012	0.053
Number of reflections	79172	7700
<I/σ(I)>	41.07	11.61
Completeness [%]	99.9	98.97
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Protein 10 mg/mL was mixed with an equal volume of a reservoir solution containing 200 mM NaCl, 0.1 M NaCitrate pH 5.6, 24% PEG4K and equilibrated against 1 mL of a reservoir solution.