7TXB

Structure of the Class II Fructose-1,6-Bisphophatase from Mycobacterium tuberculosis complexed with substrate F1,6BP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	P 61 2 2
Unit cell lengths	117.110, 117.110, 325.917
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.990 - 3.710
R-factor	0.2155
Rwork	0.213
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ayu
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.840
High resolution limit [Å]	3.710	3.710
Rmerge	0.200	0.678
Rmeas	0.140	0.427
Number of reflections	14655	656
<I/σ(I)>	11	1.6
Completeness [%]	98.6	89.76
Redundancy	18.4	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	291	2.9 M Sodium Malonate pH 4.0