5F24

Crystal structure of dual specific IMPase/NADP phosphatase bound with D-inositol-1-phosphate

Replaces:  4G60

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	2012-03-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	60.567, 67.835, 137.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.400 - 2.500
R-factor	0.1753
Rwork	0.172
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qmf
RMSD bond length	0.016
RMSD bond angle	1.832
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.648	19.614	2.630
High resolution limit [Å]	2.498	7.900	2.500
Rmerge		0.023	0.497
Rmeas	0.114
Rpim	0.042	0.010	0.199
Total number of observations	145535	4386	20984
Number of reflections	20273
<I/σ(I)>	18.9	61.3	4.3
Completeness [%]	99.8	93.6	99.9
Redundancy	7.2	6.4	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2M CACL2 2H20, 0.1M HEPES PH 7.0, 15% (W/V) PEG 3350