4J3S

Crystal structure of barley limit dextrinase soaked with 300mM maltotetraose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.992
Spacegroup name	C 1 2 1
Unit cell lengths	169.260, 81.240, 58.230
Unit cell angles	90.00, 101.14, 90.00

Refinement procedure

Resolution	46.960 - 1.750
R-factor	0.138
Rwork	0.136
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y4s
RMSD bond length	0.006
RMSD bond angle	1.133
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]	50.000		1.850
High resolution limit [Å]	1.750	5.210	1.750
Rmerge	0.060	0.025	0.478
Rmeas		0.030	0.569
Number of reflections	77622	2953	12233
<I/σ(I)>	14.44	36.27	2.77
Completeness [%]	98.8	96.8	97

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