6MRJ

Crystal structure of H.pylori NikR in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	72.370, 94.180, 204.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 2.800
R-factor	0.2088
Rwork	0.207
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lgh
RMSD bond length	0.009
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.490	2.930
High resolution limit [Å]	2.800	2.800
Rpim	0.192
Number of reflections	35339	4619
<I/σ(I)>	10.9	0.5
Completeness [%]	100.0	99.9
Redundancy	123.2	120.7
CC(1/2)	0.994	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	285	20% PEG 3350, 0.2M NaF, 20mM HEPES pH 8.0, 0.1M NaCl, 10mM Mg2Cl