6AYV

Crystal structure of fructose-1,6-bisphosphatase T84A from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-10
Detector	MARRESEARCH
Wavelength(s)	0.97856
Spacegroup name	P 61 2 2
Unit cell lengths	131.240, 131.240, 144.149
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.768 - 2.300
R-factor	0.1927
Rwork	0.190
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d1r
RMSD bond length	0.008
RMSD bond angle	1.001
Data reduction software	HKL-2000
Data scaling software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.125	2.314
Rpim	0.026	0.517
Number of reflections	33376	1613
<I/σ(I)>	55	2.1
Completeness [%]	100.0	100
Redundancy	23.7	21.4
CC(1/2)		0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	2.4 M sodium malonate pH 6.0