6P0Y

Cryptosporidium parvum pyruvate kinase in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	133.465, 105.305, 83.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.030 - 2.600
R-factor	0.2195
Rwork	0.217
R-free	0.26790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4drs
RMSD bond length	0.003
RMSD bond angle	1.252
Data reduction software	XDS (Version Nov. 11, 2013)
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.030	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.185
Rmeas	0.207
Rpim	0.091	0.699
Number of reflections	36773	4439
<I/σ(I)>	8.9	1.3
Completeness [%]	99.7	100
Redundancy	4.9	4.9
CC(1/2)	0.995	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10-15% PEG 8000, 0.1M Hepes pH 7.5