8WPI

Anabaena McyI with prebound NAD and soaked NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	77
Detector technology	CCD
Collection date	2020-07-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 41
Unit cell lengths	74.549, 74.549, 127.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.522 - 2.201
R-factor	0.1775
Rwork	0.176
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wwk
RMSD bond length	0.004
RMSD bond angle	0.790
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	35329	3499
<I/σ(I)>	27.5
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.996	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M trimethylamine N-oxide, 0.1 M Tris-HCl, pH 8.5, 20% (w/v) PEG 2000 MME, 15 mM NADP