4KZT

Structure mmNAGS bound with L-arginine

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	2011-08-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	165.829, 110.823, 117.196
Unit cell angles	90.00, 91.02, 90.00

Refinement procedure

Resolution	39.298 - 2.800
R-factor	0.1986
Rwork	0.196
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s6h
RMSD bond length	0.009
RMSD bond angle	1.354
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.081	0.048	0.656
Number of reflections	47676
<I/σ(I)>	13.1
Completeness [%]	90.3	96.9	54.1
Redundancy	6.6	6.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	291	100 mM cacodylic acid sodium salt trihydrate, pH 6.2, 25% polypropylene glycol P400 and 200 mM magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K