3L4I

CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-11-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	85.977, 115.324, 182.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.209
Rwork	0.206
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kvg
RMSD bond length	0.011
RMSD bond angle	1.256
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.057	0.824
Number of reflections	46272
<I/σ(I)>	14.7	2.8
Completeness [%]	99.8	100
Redundancy	6.9	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	4 mM MgCl2, 2 mM TCEP,20% P3350, 0.2M KCl, 2 mM ADP, 4 mM MgCL2, 2 mM TCEP, 25% Ethylene Glycol - Cryoprotectant, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K