7K6W

Structure of the PTP-like myo-inositol phosphatase from Desulfovibrio magneticus in complex with myo-inositol hexakisphosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	69.839, 95.989, 103.610
Unit cell angles	90.00, 92.09, 90.00

Refinement procedure

Resolution	48.960 - 2.300
R-factor	0.1962
Rwork	0.196
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mmj
RMSD bond length	0.003
RMSD bond angle	0.589
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.960	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	60960	4485
<I/σ(I)>	6.6
Completeness [%]	99.8
Redundancy	2.9
CC(1/2)	0.991	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	PEG 4000 and 1000, 2-methyl-2,4-pentanediol, carboxylates, sodium acetate