5JD9

Bacillus cereus CotH kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	52.757, 63.516, 118.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.808 - 1.630
R-factor	0.1561
Rwork	0.156
R-free	0.17070
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	0.927
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.092	0.019
Rmeas	0.094
Rpim	0.054
Total number of observations	257053
Number of reflections	54130
<I/σ(I)>	9.5
Completeness [%]	99.9	98.5	99.9
Redundancy	4.7	4.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.75	293	0.1 M cacodylate, 0.2 M magnesium chloride, 15% PEG 3350, 30% ethylene glycol
2	VAPOR DIFFUSION, SITTING DROP	6.75	293	0.1 M MES, 0.2 M magnesium chloride, 15% PEG 3350, 30% ethylene glycol