5DW8

Crystal structure of 2'AMP bound SaIMPase-II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-05-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	49.008, 105.687, 53.313
Unit cell angles	90.00, 101.91, 90.00

Refinement procedure

Resolution	19.680 - 2.400
R-factor	0.2087
Rwork	0.205
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.728
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.843	19.677	2.530
High resolution limit [Å]	2.399	7.590	2.400
Rmerge		0.043	0.428
Rmeas	0.162
Rpim	0.084	0.027	0.260
Total number of observations	78201	2369	11177
Number of reflections	20768
<I/σ(I)>	8.9	24.2	3.2
Completeness [%]	99.7	94.2	99.6
Redundancy	3.8	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M CaCl2, 0.1 M Bis-Tris pH 6.0, 20% (W/V) PEG 3350