4CVW

Structure of the barley limit dextrinase-limit dextrinase inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-24
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	166.979, 168.606, 157.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	157.760 - 2.670
R-factor	0.257
Rwork	0.255
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2Y4S AND 1B1U
RMSD bond length	0.006
RMSD bond angle	0.847
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	157.760	2.850
High resolution limit [Å]	2.670	2.670
Rmerge	0.180	0.680
Number of reflections	60740
<I/σ(I)>	8	2.2
Completeness [%]	99.4	99.7
Redundancy	4.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PROTEIN STOCK: PURIFIED 1:1 ENZYME:INHIBITOR COMPLEX (A280NM = 12.1) IN 50 MM MES PH 6.6, 250 MM NACL, 0.5 MM CACL2. RESERVOIR: 24% POLYETHYLENE GLYCOL (PEG) 8000 AND 0.05 M KH2PO4. 0.5 MICROLITRE 0.1 M NAD WAS ADDED TO THE DROPLET TO A CONCENTRATION OF 0.01 M.