4WP0

Crystal structure of human kynurenine aminotransferase-I with a C-terminal V5-hexahistidine tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 61
Unit cell lengths	231.150, 231.150, 56.105
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.941 - 3.000
R-factor	0.236
Rwork	0.234
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wlh
RMSD bond length	0.002
RMSD bond angle	0.745
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.262	0.075
Total number of observations	155793
Number of reflections	33384
<I/σ(I)>	4.9
Completeness [%]	94.9	93.8	94
Redundancy	4.7	4.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	29% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris