5C2W

Kuenenia stuttgartiensis Hydrazine Synthase Pressurized with 20 bar Xenon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	464.120, 464.120, 145.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.500 - 3.200
R-factor	0.2325
Rwork	0.231
R-free	0.26680
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5c2v
RMSD bond length	0.009
RMSD bond angle	1.309
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.138	0.641
Number of reflections	192635
<I/σ(I)>	17.6	4.6
Completeness [%]	100.0	100
Redundancy	10.6	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	36% DIOXANE