4NHJ

Crystal structure of Klebsiella pneumoniae RstA DNA-binding domain in complex with RstA box

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.96357, 0.97879, 0.97862
Spacegroup name	P 21 21 2
Unit cell lengths	159.935, 33.313, 72.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.030 - 2.701
R-factor	0.2217
Rwork	0.216
R-free	0.27130
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.948
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.066	0.270
Number of reflections	10418
<I/σ(I)>	60.32	7.2
Completeness [%]	91.9	82.9
Redundancy	10.2	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	299	100 mM Bis-Tris, 28% PEG400, 1.32 M sodium formate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 299K