7KIR

Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant in complex with inositol (1,4)-bisphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS II
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1998-01-01
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 41
Unit cell lengths	51.437, 51.437, 142.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.250 - 2.600
R-factor	0.196
Rwork	0.190
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1inp
RMSD bond length	0.005
RMSD bond angle	0.761
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.300	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.094	0.099
Number of reflections	10601	929
<I/σ(I)>	8.8
Completeness [%]	92.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Crystals were first grown in 0.1M sodium citrate pH 4.3, 16-18% PEG6K, 5 mM CaCl2. Then crystals were soaked with inositol (1,4)-bisphosphate for 1-3 hours