5N7J

Crystal structure of Neisseria polysaccharea amylosucrase mutant efficient for the synthesis of controlled size maltooligosaccharides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-31
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	P 2 21 21
Unit cell lengths	59.990, 97.570, 115.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.785 - 2.001
R-factor	0.1444
Rwork	0.142
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g5a
RMSD bond length	0.007
RMSD bond angle	1.316
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.785	48.785	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.090	0.021	0.451
Rmeas	0.103	0.024	0.534
Total number of observations	183402
Number of reflections	45528	594	2780
<I/σ(I)>	15.51	55.37	2.83
Completeness [%]	98.2	97.9	82.4
Redundancy	4.028	3.505	3.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	285	PEG 6000, HEPES