2H2N

Crystal structure of human soluble calcium-activated nucleotidase (SCAN) with calcium ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2005-11-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 1
Unit cell lengths	43.094, 52.368, 77.426
Unit cell angles	75.06, 74.52, 79.47

Refinement procedure

Resolution	31.080 - 2.300
R-factor	0.172
Rwork	0.168
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.136
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	d*TREK (9.2SSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.080	31.080	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.058	0.036	0.178
Total number of observations		15967	14462
Number of reflections	27727
<I/σ(I)>	17.9	45.2	4.9
Completeness [%]	99.7	99.8	99.3
Redundancy	5.43	5.57	5.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	8% PEG 4000, 0.2 M ammonium sulfate, 0.1M sodium acetate pH4.8, 10 mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K