7FGX

Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	68.404, 102.536, 106.198
Unit cell angles	88.95, 87.74, 84.69

Refinement procedure

Resolution	30.050 - 2.050
R-factor	0.1821
Rwork	0.180
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eil
RMSD bond length	0.008
RMSD bond angle	0.986
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.065	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.048	0.407
Number of reflections	170447	16489
<I/σ(I)>	16.4
Completeness [%]	95.6
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	0.2 M Lithium nitrate, 14% (w/v) PEG4000 and 0.1 M Bis-Tris propane pH 7.5