4WLJ

High resolution crystal structure of human kynurenine aminotransferase-I in complex with aminooxyacetate

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	2011-04-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95369
Spacegroup name	C 1 2 1
Unit cell lengths	102.740, 107.650, 81.750
Unit cell angles	90.00, 112.98, 90.00

Refinement procedure

Resolution	26.940 - 1.540
R-factor	0.1989
Rwork	0.197
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wlh
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (2.2.1)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.262	26.940	1.620
High resolution limit [Å]	1.540	4.870	1.540
Rmerge		0.043	0.667
Rmeas	0.086
Rpim	0.033	0.018	0.314
Total number of observations	683702	26763	84844
Number of reflections	108232
<I/σ(I)>	13.2	39.3	2.2
Completeness [%]	89.8	99.4	93.9
Redundancy	6.3	6.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	5 mM AOAA, 29% PEG 4000, 0.2 M sodium acetate, 0.1 M Tris