5NL6

The crystal structure of the two spectrin repeat domains from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9334
Spacegroup name	P 21 21 21
Unit cell lengths	46.084, 59.978, 187.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.813 - 2.050
R-factor	0.1866
Rwork	0.183
R-free	0.24730
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.702
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.072	0.577
Number of reflections	33531	4759
<I/σ(I)>	13	2.7
Completeness [%]	99.8	98.8
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2 M MgCl2 6H2O, 0.1M HEPES pH 6.5, 25% w/v PEG3350