3S6H

Crystal structure of native mmNAGS/k

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	298
Detector technology	CCD
Collection date	2007-07-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	114.587, 118.211, 152.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.800 - 3.102
R-factor	0.1919
Rwork	0.186
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6g
RMSD bond length	0.009
RMSD bond angle	1.278
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.092	0.043	0.607
Number of reflections	36398
<I/σ(I)>	8.1
Completeness [%]	95.5	99.1	76.2
Redundancy	6.9	6.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	25% PEG3350, 200 mM NaCl and 100 mM Bis-tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K