3K7D

C-terminal (adenylylation) domain of E.coli Glutamine Synthetase Adenylyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-10
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	72.542, 122.862, 143.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 2.400
R-factor	0.18546
Rwork	0.183
R-free	0.23548
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v4a
RMSD bond length	0.009
RMSD bond angle	1.145
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.089	0.492
Number of reflections	49185
<I/σ(I)>	8.4	3.2
Completeness [%]	96.4	93.8
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	2M ammonium sulfate, 0.1M Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K