4U5Y

Crystal Structure of the complex between the GNAT domain of S. lividans PAT and the acetyl-CoA synthetase C-terminal domain of S. enterica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-14
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.978
Spacegroup name	C 2 2 21
Unit cell lengths	62.478, 66.524, 138.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.632 - 1.926
R-factor	0.1893
Rwork	0.187
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nxy 1pg4
RMSD bond length	0.008
RMSD bond angle	1.044
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.920
Rmerge	0.067	0.330
Number of reflections	22055
<I/σ(I)>	24.3	4.9
Completeness [%]	99.7	98.4
Redundancy	10.6	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	11.2% (w/v) polyethylene glycol 8000, 100 mM 1,4-piperazinediethanesulfonic acid pH 6.5, 120 mM Li2SO4