4U3C

Docking Site of Maltohexaose in the Mtb GlgE

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	2010-12-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.980
Spacegroup name	C 1 2 1
Unit cell lengths	338.422, 239.418, 239.447
Unit cell angles	90.00, 134.90, 90.00

Refinement procedure

Resolution	43.725 - 3.980
R-factor	0.2252
Rwork	0.224
R-free	0.25640
RMSD bond length	0.008
RMSD bond angle	1.654
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.980
Number of reflections	122284
<I/σ(I)>	13.8
Completeness [%]	99.7
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5 and 1.0 M ammonium formate