6H8O

Crystal structure of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99989
Spacegroup name	P 65
Unit cell lengths	94.230, 94.230, 45.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.115 - 1.150
R-factor	0.128
Rwork	0.166
R-free	0.17900
Structure solution method	SAD
Starting model (for MR)	I3C
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.21)
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.115	1.210
High resolution limit [Å]	1.150	1.150
Number of reflections	81485	11361
<I/σ(I)>	19.5	5.6
Completeness [%]	99.4	95.6
Redundancy	15.4	6.3
CC(1/2)	0.997	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasis dihydrate pH5.6, 2.0 M Ammonium sulfate