9IW1

wild type NMN/NaMN adenylyltransferase from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	42.988, 60.536, 202.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.030 - 2.110
R-factor	0.1943
Rwork	0.192
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.940
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	31285	1533
<I/σ(I)>	12.3	2
Completeness [%]	99.8	100
Redundancy	12.6
CC(1/2)	0.985	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	22% PEG3350; 0.1M sodium nitrate; 0.01 M spermine tetrahydrochloride