8C1N

FMDV 3D polymerase in complex with 3B1 protein solved in P212121 space group

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)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	93.343, 97.024, 115.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.750 - 1.700
R-factor	0.2208
Rwork	0.220
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.651
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]	49.234	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.858
Rpim		0.608
Number of reflections	113370	14640
<I/σ(I)>	12.8	1.1
Completeness [%]	97.7	87.5
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2M Ammonium acetate 25% PEG 4K 0.1M HEPES pH 6.5 4% gamma-butyrolactone.