4J3X

Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltoheptasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-30
Detector	MAR CCD 165 mm
Wavelength(s)	1.04
Spacegroup name	C 1 2 1
Unit cell lengths	173.270, 86.200, 61.560
Unit cell angles	90.00, 96.03, 90.00

Refinement procedure

Resolution	28.340 - 1.750
R-factor	0.1488
Rwork	0.146
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y4s
RMSD bond length	0.006
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000		1.850
High resolution limit [Å]	1.750	5.160	1.750
Rmerge	0.076	0.029	0.537
Rmeas		0.035	0.650
Number of reflections	89001	3302	14033
<I/σ(I)>	11.95	33.03	2.41
Completeness [%]	97.4	90.7	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG 3350, 0.3M NaI, vapor diffusion, hanging drop, temperature 298K