4KI0

Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to maltohexaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07216
Spacegroup name	P 1
Unit cell lengths	81.592, 96.631, 112.321
Unit cell angles	85.30, 79.11, 73.00

Refinement procedure

Resolution	19.820 - 2.380
R-factor	0.19387
Rwork	0.192
R-free	0.22826
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rlf
RMSD bond length	0.005
RMSD bond angle	1.063
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.380	2.380
Number of reflections	122805
Completeness [%]	95.9	86.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	27% poly-ethylene glycol 400, 200 mM NaCl, 50 mM MgCl2, 100 mM sodium HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K