4J91

Diamond-shaped octameric structure of KtrA with ADP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	C 1 2 1
Unit cell lengths	147.932, 84.630, 113.675
Unit cell angles	90.00, 128.37, 90.00

Refinement procedure

Resolution	89.120 - 2.930
R-factor	0.253
Rwork	0.252
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hmt 2hmu 2hmv
RMSD bond length	0.011
RMSD bond angle	1.352
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]	89.123	42.315	2.930
High resolution limit [Å]	2.781	8.800	2.780
Rmerge		0.018	0.827
Rmeas		0.021	0.925
Rpim		0.010	0.410
Total number of observations		4044	19307
Number of reflections	27727
<I/σ(I)>	21.6	71.4	2.3
Completeness [%]	99.7	97.6	99.1
Redundancy	4.9	4.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1M citrate pH5.6, 14.5% polyethylene glycol 2000, 0.2M ammonium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K