6GXV

Amylase in complex with acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	180.900, 180.900, 77.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.210 - 2.070
R-factor	0.14016
Rwork	0.138
R-free	0.17617
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wp6
RMSD bond length	0.010
RMSD bond angle	1.664
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP (11.6.03)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.210	2.120
High resolution limit [Å]	2.070	2.070
Rmerge	0.170	0.740
Rmeas	0.180	0.800
Number of reflections	78951	5774
<I/σ(I)>	16.7
Completeness [%]	99.6	100
Redundancy	14.5	14.8
CC(1/2)	1.000	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Na citrate, 0.1 M BTP pH 6.5, 20% PEG 3350