6RXE

Crystal Structure of Bifidobacterium longum Multiple Inositol Polyphosphate Phosphatase Complex with Inositol Hexasulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	70.829, 106.411, 76.462
Unit cell angles	90.00, 112.64, 90.00

Refinement procedure

Resolution	70.569 - 1.840
R-factor	0.209
Rwork	0.207
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rxd
RMSD bond length	0.004
RMSD bond angle	0.689
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.570	1.970
High resolution limit [Å]	1.840	1.840
Rmerge	0.159	0.625
Number of reflections	90353	4482
<I/σ(I)>	3.6	1.4
Completeness [%]	99.7	99.5
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	289	10 mM HEPES, 75 mM NaCl, 10% (w/v) PEG 1000, 10% (w/v) PEG 8000