4IQX

Mutant P44S P169S M296I of Foot-and-mouth disease Virus RNA-dependent RNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.977
Spacegroup name	P 32 2 1
Unit cell lengths	93.836, 93.836, 99.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.360 - 2.500
R-factor	0.22341
Rwork	0.222
R-free	0.25389
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.855
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.078	0.300
Number of reflections	18047
<I/σ(I)>	14.1	5.7
Completeness [%]	99.3	100
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	26% PEG 4000, 0.2M magnesium acetate, 6% butyrolactone, 0.1M MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K