3EB0

Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.96749
Spacegroup name	P 21 21 2
Unit cell lengths	134.101, 138.366, 43.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.650
R-factor	0.24
Rwork	0.238
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o9u
RMSD bond length	0.011
RMSD bond angle	1.396
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.189	0.801
Number of reflections	24543
<I/σ(I)>	13.083	1.77
Completeness [%]	99.4	95.7
Redundancy	6.7	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10% Isopropanol 20% PEG 4000 0.1 M NaHepes 7.5 4 mM indirubin E804 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K