4LDG

Crystal Structure of CpSET8 from Cryptosporidium, cgd4_370

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 41 21 2
Unit cell lengths	68.229, 68.229, 142.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.360 - 2.310
R-factor	0.1953
Rwork	0.194
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.382
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.144	0.095	0.979
Number of reflections	15678
<I/σ(I)>	10.5		3.21
Completeness [%]	100.0	99.7	100
Redundancy	10.3	9	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.8 M Na Malonate, 20 % PEG 3350, 7% butanol, 20 glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K