3T0J

Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	98
Detector technology	IMAGE PLATE
Collection date	2011-03-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	179.137, 55.209, 149.470
Unit cell angles	90.00, 124.33, 90.00

Refinement procedure

Resolution	19.740 - 2.590
R-factor	0.1874
Rwork	0.183
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.666
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	123.436	19.737	2.730
High resolution limit [Å]	2.586	8.180	2.590
Rmerge		0.048	0.627
Rmeas		0.053	0.687
Rpim		0.022	0.276
Total number of observations		7200	31502
Number of reflections	37905
<I/σ(I)>	9.4	25.1	3
Completeness [%]	99.0	92.7	95.1
Redundancy	6.3	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.3M Ammonium dihydrogen phosphate, 25% (w/v) PEG 3350, vapor diffusion, hanging drop, temperature 298K