4ZYJ

Streptomyces peucetius nitrososynthase dnmZ in TDP-bound 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	2012-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	100.483, 134.667, 144.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.426 - 2.736
R-factor	0.1766
Rwork	0.173
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxl
RMSD bond length	0.013
RMSD bond angle	1.762
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.426	39.426	2.880
High resolution limit [Å]	2.736	8.650	2.736
Rmerge	0.041	0.012	0.350
Rmeas	0.045
Rpim	0.018	0.005	0.170
Total number of observations	325167	10462	33667
Number of reflections	51414
<I/σ(I)>	32.9	104.1	4.1
Completeness [%]	98.2	98.4	88.9
Redundancy	6.3	5.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.4	298	0.1 M glycine, 0.12 M ammonium sulfate, 12% PEG2000, pH 9.4