4NOG

Crystal structure of a putative ornithine aminotransferase from Toxoplasma gondii ME49 in complex with pyrodoxal-5'-phosphate

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	2013-10-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	56.190, 61.328, 63.678
Unit cell angles	100.58, 93.23, 107.74

Refinement procedure

Resolution	62.140 - 1.200
R-factor	0.13481
Rwork	0.133
R-free	0.16494
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lg0
RMSD bond length	0.021
RMSD bond angle	1.927
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.140	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.043	0.370
Number of reflections	224574
<I/σ(I)>	11.2	2
Completeness [%]	91.0	91
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium Acetate, 0.1 M Bis-Tris, 35% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K