6FFL

Maltose/maltodextrin-binding domain MalE from Bdellovibrio bacteriovorus bound to maltotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.892
Spacegroup name	P 21 21 2
Unit cell lengths	78.747, 106.692, 53.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.818 - 1.707
R-factor	0.1597
Rwork	0.158
R-free	0.19110
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.804
Data reduction software	XDS (VERSION March 2013)
Data scaling software	XDS (VERSION March 2013)
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.768
High resolution limit [Å]	1.707	1.707
Rmerge	0.145	1.661
Rmeas	0.148	1.693
Number of reflections	49643	4807
<I/σ(I)>	24	2.09
Completeness [%]	99.8	98.2
Redundancy	26.2	26.3
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	291	25% PEG3350, 0.1 M BisTris pH 5.5, 0.2M LiSO4 soaked with Pt(NO3)2(NH3)2