6JOP

Crystal structures of phage NrS-1 N300-dNTPs-Mg2+ complex provide molecular mechanisms for substrate specificity

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	2019-01-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	134.333, 55.456, 50.763
Unit cell angles	90.00, 95.58, 90.00

Refinement procedure

Resolution	42.335 - 2.353
R-factor	0.1807
Rwork	0.180
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a9w
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.353	6.400	2.360
Rmerge	0.107	0.044	0.886
Rmeas	0.116	0.048	0.989
Rpim	0.045	0.018	0.428
Number of reflections	14775	798	608
<I/σ(I)>	6.4
Completeness [%]	95.7	97.9	79.6
Redundancy	6.2	6.4	4.6
CC(1/2)		0.998	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	100mM Bis-Tris, pH 6.5, 0.2M Li2SO4, 25% PEG 3350