5EFS

The crystal structure of human kynurenine aminotransferase II

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	2015-09-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	102.455, 102.455, 86.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.462 - 1.825
R-factor	0.1704
Rwork	0.169
R-free	0.19230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.709
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (Phaser Module: 2.6.0)
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.820	45.820	1.870
High resolution limit [Å]	1.825	8.980	1.825
Rmerge	0.106	0.022	0.805
Rpim	0.029	0.006	0.220
Total number of observations	585446	5015	33478
Number of reflections	40804
<I/σ(I)>	17	54.8	2.7
Completeness [%]	99.8	99.5	96.9
Redundancy	14.3	11.7	14
CC(1/2)	0.999	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	300	200 mM NaCl, 0.1M NaCitrate pH 5.6, 24% PEG4K