6JOQ

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	134.360, 55.388, 50.774
Unit cell angles	90.00, 95.48, 90.00

Refinement procedure

Resolution	38.588 - 2.400
R-factor	0.1949
Rwork	0.193
R-free	0.23210
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	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.079	0.042	1.271
Rmeas	0.086	0.046	1.420
Rpim	0.033	0.018	0.618
Number of reflections	14433	760	653
<I/σ(I)>	6.2
Completeness [%]	98.1	97.8	88.4
Redundancy	6.5	6.4	4.5
CC(1/2)		0.998	0.541

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