6AYY

Crystal structure of Apo fructose-1,6-bisphosphatase 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	2017-04-24
Detector	MARRESEARCH
Wavelength(s)	0.97856
Spacegroup name	P 61 2 2
Unit cell lengths	131.541, 131.541, 144.352
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 2.601
R-factor	0.1944
Rwork	0.191
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ayv
RMSD bond length	0.009
RMSD bond angle	1.004
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.079	1.806
Rpim	0.017	0.456
Number of reflections	23145
<I/σ(I)>	44.8	1.706
Completeness [%]	100.0	100
Redundancy	21.6	22.1
CC(1/2)		0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	1.0 M ammonium citrate, 1% PEG 3350