6AYU

Crystal structure of fructose-1,6-bisphosphatase T84S 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	2017-07-14
Detector	MARRESEARCH
Wavelength(s)	0.97872
Spacegroup name	P 61 2 2
Unit cell lengths	130.890, 130.890, 142.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.500 - 2.200
R-factor	0.206
Rwork	0.204
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d1r
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge		1.326
Rpim	0.025	0.425
Number of reflections	37421	1825
<I/σ(I)>	35.7	2.1
Completeness [%]	99.9	100
Redundancy	10.8	10.6
CC(1/2)	0.948	0.907

Crystallization Conditions

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