6RXF

Crystal Structure of Bifidobacterium longum Multiple Inositol Polyphosphate Phosphatase Phosphohistidine Intermediate

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	2018-04-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	55.508, 73.118, 88.987
Unit cell angles	71.30, 72.99, 78.99

Refinement procedure

Resolution	52.774 - 2.397
Rwork	0.182
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rxd
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]	68.860	2.480
High resolution limit [Å]	2.397	2.397
Rmerge	0.233
Number of reflections	46820	4365
<I/σ(I)>	2.3	1.5
Completeness [%]	94.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.1 M MES, 0.01 M zinc chloride, 18 % PEG 6000