4D2J

Crystal structure of F16BP Aldolase from Toxoplasma gondii (TgALD1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Spacegroup name	P 42 21 2
Unit cell lengths	109.814, 109.814, 54.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.440 - 1.750
R-factor	0.19218
Rwork	0.190
R-free	0.23073
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kx6
RMSD bond length	0.011
RMSD bond angle	1.358
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.050	0.500
Number of reflections	33917
<I/σ(I)>	44	4
Completeness [%]	99.4	100
Redundancy	13.5	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1 M SODIUM CHLORIDE, 0.1 M HEPES PH 7.5, 1.6 M AMMONIUM SULFATE