3MA8

Crystal structure of CGD1_2040, a pyruvate kinase from cryptosporidium Parvum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.97948
Spacegroup name	P 21 21 2
Unit cell lengths	119.345, 97.142, 109.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.640
R-factor	0.242
Rwork	0.241
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.768
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.640	2.640
Rmerge	0.128	0.875
Number of reflections	37480
<I/σ(I)>	8.1	2.45
Completeness [%]	100.0	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% PEG 3350, 0.2 M Lithium Citrate, 50 mM CrCl3, 20% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K