4IX8

Crystal structure of Tyrosine aminotransferase from Leishmania infantum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	98.960, 98.960, 199.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.136 - 2.350
R-factor	0.1748
Rwork	0.173
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bw0 modified with CCP4 program chainsaw
RMSD bond angle	0.012
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX (dev_1269)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.510	2.410
High resolution limit [Å]	2.350	7.430	2.350
Rmerge	0.069	0.038	0.563
Number of reflections	47821	1051	3479
<I/σ(I)>	13.81	30.97	2.55
Completeness [%]	99.8	100	99.9
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	Molecular dimersions Morpheus screen b11: 10% PEG 4000, 20% glycerol, 30mM NaF, 30mM NaBr, 30mM NaI, 100mM Bicine/Tris pH 8.5; LeinA.00674.a.BV2.PC00092 at 21.3mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K