4J90

Square-shaped octameric structure of KtrA with ATP bound

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.933400
Spacegroup name	I 4
Unit cell lengths	122.838, 122.838, 84.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.860 - 3.240
R-factor	0.1927
Rwork	0.190
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.138
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.860	45.996	3.260
High resolution limit [Å]	3.097	9.790	3.100
Rmerge		0.018	0.839
Rmeas		0.022	0.991
Rpim		0.012	0.523
Total number of observations		1242	5849
Number of reflections	11441
<I/σ(I)>	16.9	55.1	1.6
Completeness [%]	99.6	97.7	99.3
Redundancy	3.5	3.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Hepes pH7.5, 3% polyethylene glycol 6000, 2.5% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, SITTING DROP, temperature 293K