5ZHH

Structure of Inositol monophosphatase from Anabaena (Nostoc) sp. PCC 7120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	P 1
Unit cell lengths	56.319, 71.568, 85.121
Unit cell angles	111.86, 101.42, 99.11

Refinement procedure

Resolution	41.250 - 1.890
R-factor	0.171
Rwork	0.170
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qfl
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.319	2.520
High resolution limit [Å]	1.890	1.890
Number of reflections	89610
<I/σ(I)>	2.12
Completeness [%]	96.1
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	277	0.02 M Citric acid, 0.08 M BIS-TRIS propane, pH 8.8, 16% w/v Polyethylene glycol 3350