4WYL

Mutant K18E of 3D polymerase from Foot-and-Moth Disease Virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-12
Detector	PSI PILATUS 6M
Wavelength(s)	1.4
Spacegroup name	P 41 21 2
Unit cell lengths	91.627, 91.627, 117.852
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 2.000
R-factor	0.21498
Rwork	0.214
R-free	0.24258
RMSD bond length	0.004
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.810	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.350
Number of reflections	34625
<I/σ(I)>	25.6	5.3
Completeness [%]	99.9	99.3
Redundancy	6.5	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	30% PEG 4K, 0.2M Mg(CH3COO)2, 0.1M MES ph 6.0, 4% gamma-butyrolactone