4AIO

Crystal structure of the starch debranching enzyme barley limit dextrinase

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	2010-11-21
Detector	ADSC QUANTUM 315r
Spacegroup name	C 1 2 1
Unit cell lengths	176.058, 82.072, 59.378
Unit cell angles	90.00, 96.20, 90.00

Refinement procedure

Resolution	33.694 - 1.900
R-factor	0.18871
Rwork	0.187
R-free	0.22476
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y4s
RMSD bond length	0.008
RMSD bond angle	1.165
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]	35.540	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.040	0.040
Number of reflections	60352
<I/σ(I)>	7.8	2.1
Completeness [%]	91.3	94.5
Redundancy	2.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PROTEIN STOCK: 10 MG/ML PROTEIN 50 MM MES PH 6.6, 250 MM NACL, 0.5 MM CACL2 AND 0.67 MM MALTOTRIOSE. RESERVOIR: 30% POLYETHYLENE GLYCOL (PEG) 3350, 5% GLYCEROL, AND 0.3 M NAI. CYSTEIN WAS ADDED TO THE DROPS TO A FINAL CONCENTRATION OF 5-7 MM