5CX2

Structure of coiled coil domain of Leishmania donovani coronin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	113.390, 48.780, 45.350
Unit cell angles	90.00, 110.95, 90.00

Refinement procedure

Resolution	42.350 - 2.210
R-factor	0.23603
Rwork	0.233
R-free	0.28885
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.369
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	1.970	4.240	1.970
Rmerge	0.118	0.075
Total number of observations	90732
Number of reflections	14275
<I/σ(I)>	6.9
Completeness [%]	87.3	100	40.8
Redundancy	6.4	7.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	279	3 ul of 8 mg/ml purified protein + 3 ul of reservoir solution (0.85M Ammonium Sulphate, 0.8M Lithium Sulphate, 10mM Sodium Citrate) equilibrated against 1ml reservoir. Crystals appeared in 7 - 10 days.