3BYV

Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-24
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	59.072, 69.821, 85.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.440 - 1.800
R-factor	0.20334
Rwork	0.202
R-free	0.23273
Structure solution method	SAD
RMSD bond length	0.028
RMSD bond angle	2.367
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.486
Number of reflections	33484
<I/σ(I)>	28.5	4.21
Completeness [%]	99.9	100
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 3350, 0.2 M MgNO3, 0.1 M Tris-HCl pH 8.5, 1 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 3350, 0.2 M MgNO3, 0.1 M Tris-HCl pH 8.5, 1 mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K