5O7T

Crystal structure of KlenTaq mutant M747K in a closed ternary complex with a dG:dCTP base pair

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	2016-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999975
Spacegroup name	P 31 2 1
Unit cell lengths	109.476, 109.476, 91.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.404 - 1.800
R-factor	0.1799
Rwork	0.177
R-free	0.23480
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3m8s
RMSD bond length	0.012
RMSD bond angle	1.241
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((dev_2747: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.405	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.085	2.875
Number of reflections	112020	17660
<I/σ(I)>	11.06	0.5
Completeness [%]	98.2	95.8
Redundancy	5.2	5
CC(1/2)	0.999	0.169

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG 3350, 0 .1M Magnesiumacetate