3O5A

Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	C 1 2 1
Unit cell lengths	119.400, 71.410, 128.410
Unit cell angles	90.00, 121.04, 90.00

Refinement procedure

Resolution	27.630 - 1.720
R-factor	0.14473
Rwork	0.143
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nap
RMSD bond length	0.028
RMSD bond angle	2.310
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.340	1.810
High resolution limit [Å]	1.720	1.720
Number of reflections	97895
Completeness [%]	99.6	99.6174
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	15% PEG 3350, 0.2M sodium formate, 0.4M [C4MIM]Cl-, pH 7.0, VAPOR DIFFUSION, temperature 293K