2WVE

Structural and mechanistic insights into Helicobacter pylori NikR function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-06
Detector	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	118.761, 118.761, 50.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.312 - 2.300
R-factor	0.1959
Rwork	0.195
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ca9
RMSD bond length	0.003
RMSD bond angle	0.693
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.070	0.410
Number of reflections	16561
<I/σ(I)>	9.6	1.8
Completeness [%]	100.0	100
Redundancy	14.8	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.4-0.7 M AMMONIUM SULFATE, 100 MM CITRATE PH 5-5.4