5N6V

Crystal structure of Neisseria polysaccharea amylosucrase mutant derived from Neutral genetic Drift-based engineering

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976250
Spacegroup name	P 2 21 21
Unit cell lengths	60.100, 96.150, 116.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.075 - 1.600
R-factor	0.15
Rwork	0.148
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g5a
RMSD bond length	0.006
RMSD bond angle	1.262
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]	48.075	48.075	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.101	0.038	0.561
Rmeas	0.108	0.041	0.607
Number of reflections	89712	1149	6518
<I/σ(I)>	14.89	47.09	3.18
Completeness [%]	99.6	98.6	98.9
Redundancy	7.374	6.903	6.929
CC(1/2)	0.998	0.999	0.896

Crystallization Conditions

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