7TXA

Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ and product F6P

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	PIXEL
Collection date	2021-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	66.394, 76.628, 141.465
Unit cell angles	76.84, 87.23, 75.71

Refinement procedure

Resolution	39.100 - 2.400
R-factor	0.1984
Rwork	0.196
R-free	0.24780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7js3
RMSD bond length	0.009
RMSD bond angle	1.198
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.100	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.043	0.390
Rmeas	0.075	0.550
Rpim	0.042	0.320
Number of reflections	101338	9973
<I/σ(I)>	17.55	2
Completeness [%]	98.4	97.8
Redundancy	3	3
CC(1/2)	0.995	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.2 M sodium malonate pH 6.0, 20% PEG 3350