4NRT

Human Norovirus polymerase bound to Compound 6 (suramin derivative)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-04
Detector	PSI PILATUS 6M
Wavelength(s)	1.07200
Spacegroup name	I 2 2 2
Unit cell lengths	89.170, 111.950, 121.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.850 - 2.022
R-factor	0.1638
Rwork	0.164
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b43
RMSD bond length	0.011
RMSD bond angle	1.481
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.800	2.130
High resolution limit [Å]	2.020	2.020
Rmerge		0.305
Number of reflections	39356
Completeness [%]	98.8	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	293.15	1.2 M Na Citrate, 100 mM Na Cacodylate ph 6.2, 125 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K