4EIL

Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-06-28
Detector	PSI PILATUS 6M
Wavelength(s)	0.9594
Spacegroup name	P 1
Unit cell lengths	53.787, 144.399, 177.605
Unit cell angles	90.01, 89.93, 90.38

Refinement procedure

Resolution	48.403 - 2.197
R-factor	0.1855
Rwork	0.183
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eck
RMSD bond length	0.008
RMSD bond angle	1.808
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.197	5.970	2.197
Rmerge	0.184	0.250	0.691
Number of reflections	265057
<I/σ(I)>	6
Completeness [%]	98.0	99.6	96.3
Redundancy	6.7	7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	290	10mg/ml protein, PEG 3350, Potassium formate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 290K