4I49

Structure of ngNAGS bound with bisubstrate analog CoA-NAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	Cu FINE FOCUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2011-07-20
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 3 1 2
Unit cell lengths	98.521, 98.521, 90.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.042 - 2.750
R-factor	0.1977
Rwork	0.189
R-free	0.27130
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3b8g
RMSD bond length	0.008
RMSD bond angle	1.188
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.750	2.750
Rmerge	0.087	0.522
Number of reflections	13151
<I/σ(I)>	12.9	1.55
Completeness [%]	99.8	64.7
Redundancy	9.8	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	100 mM Tri-Na citrate, 0.2M MgCl2, 8% PEG3350 , pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K