8G5W

Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2022-12-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	63.845, 75.879, 77.616
Unit cell angles	67.83, 68.14, 76.37

Refinement procedure

Resolution	37.370 - 2.000
R-factor	0.1628
Rwork	0.161
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.425
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.086	0.653
Rmeas	0.086	0.653
Rpim	0.043	0.339
Number of reflections	83239	4064
<I/σ(I)>	24.8	3.6
Completeness [%]	98.0	96.8
Redundancy	3.9	3.6
CC(1/2)	0.993	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	Hampton Research PEG/Ion2 #14 8% Tacsimate 20% PEG 3350