6NF0

Nocturnin with bound NADPH substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	62.888, 62.888, 153.597
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.099 - 2.700
R-factor	0.2092
Rwork	0.206
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mal
RMSD bond length	0.005
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	2.335
High resolution limit [Å]	2.050	2.053
Rmerge	0.118	1.471
Rmeas	0.123	1.538
Rpim	0.034	0.443
Number of reflections	10499	580
<I/σ(I)>	14.277
Completeness [%]	93.2	82.39
Redundancy	12.65	11.88
CC(1/2)	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Co-crystals were grown using the hanging drop vapor diffusion method by mixing the crystallization complex 1:1 with reservoir solution (100 mM HEPES pH 7.5, 10% (v/v) Isopropanol, 50 mM Sodium Acetate, and 12% (w/v) PEG 4,000)