5N8X

Trigonal structure of mutant V173I of 3D polymerase from Foot-and-Mouth Disease 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	2013-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	93.506, 93.506, 99.626
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.750 - 2.400
R-factor	0.25298
Rwork	0.252
R-free	0.28149
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wnr
RMSD bond length	0.006
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC (rigid body refinement)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.750	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.043	0.431
Number of reflections	20009	2782
<I/σ(I)>	22	2.4
Completeness [%]	96.3	96.3
Redundancy	6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	36% PEG 4000, 0.2M ammonium acetate 0.1M MES(2-(N-morpholino) ethanesulfonic acid) pH 6.0 4% gamma-butyrolactone.