7C8Z

Crystal structure of salicylate 5-hydroxylase NagGH (a Rieske non-heme iron-dependent monooxgenase)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 63
Unit cell lengths	188.156, 188.156, 147.586
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.280 - 2.600
R-factor	0.1933
Rwork	0.192
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aeu
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.300	47.300	2.640
High resolution limit [Å]	2.600	14.240	2.600
Rmerge	0.156	0.032	0.943
Rmeas	0.170	0.035	1.027
Rpim	0.067	0.015	0.404
Number of reflections	91061	566	4515
<I/σ(I)>	12.3
Completeness [%]	100.0	96.2	100
Redundancy	6.4	5.2	6.4
CC(1/2)	0.994	0.998	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	2% tascimate, 0.1M imidazole, pH 7.0 and 10% (w/v) PEG3350