4YGA

CDPK1, from Toxoplasma gondii, bound to inhibitory VHH-1B7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 1
Unit cell lengths	76.920, 91.067, 106.641
Unit cell angles	88.71, 108.27, 90.26

Refinement procedure

Resolution	70.670 - 2.940
R-factor	0.227
Rwork	0.226
R-free	0.26190
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.775
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	73.040
High resolution limit [Å]	2.940
Number of reflections	53985
<I/σ(I)>	10.3
Completeness [%]	93.5
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% w/v PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.5, 4% v/v 1-propanol