8C2P

FMDV 3D polymerase in complex with 3B3

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	2014-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	93.512, 93.512, 100.339
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.760 - 1.850
R-factor	0.2436
Rwork	0.243
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wne
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	DM
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.055	0.971
Number of reflections	43448	4227
<I/σ(I)>	18.93	2.49
Completeness [%]	99.3	98.62
Redundancy	6.3	6.4
CC(1/2)	0.992	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M magnesium acetate 25% PEG 4K 0.1M HEPES pH 6.5 4% butyrolactone.