5J53

The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase

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	CCD
Collection date	2014-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1271
Spacegroup name	I 2 2 2
Unit cell lengths	92.422, 101.338, 144.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.720 - 1.610
R-factor	0.1505
Rwork	0.150
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2biw
RMSD bond length	0.010
RMSD bond angle	0.995
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2276)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.050	0.988
Number of reflections	87570
<I/σ(I)>	33.8	1.35
Completeness [%]	93.2	94.5
Redundancy	7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.16 M MgCl2, 0.08 M Tris pH 8.5, 18% (w/v) PEG 4000, and 20% glycerol.