8WPH

Anabaena McyI with prebound NAD

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	2019-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 41
Unit cell lengths	74.038, 74.038, 128.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.482 - 2.800
R-factor	0.197
Rwork	0.195
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wwk
RMSD bond length	0.005
RMSD bond angle	0.891
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	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	17029	1700
<I/σ(I)>	16.9
Completeness [%]	99.6
Redundancy	6.5
CC(1/2)	0.992	0.776

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, and 20% (w/v) PEG 2000 MME