4ZXV

Streptomyces peucetius nitrososynthase DnmZ in ligand-free state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	99.836, 134.491, 142.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 3.000
R-factor	0.2131
Rwork	0.210
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxl
RMSD bond length	0.011
RMSD bond angle	1.496
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	3.000	6.460	3.000
Rmerge	0.063	0.027	0.465
Total number of observations	123512
Number of reflections	38251
<I/σ(I)>	17.5		2.3
Completeness [%]	97.8	96.6	95.3
Redundancy	3.2	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.3	298	0.1 M glycine, 0.12 M ammonium sulfate, 12% PEG2000