5OXJ

Crystal structure of KlenTaq mutant M747K in a closed ternary complex with a O6-MeG:BenziTP 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	2016-05-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999987
Spacegroup name	P 31 2 1
Unit cell lengths	109.347, 109.347, 90.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.349 - 2.000
R-factor	0.1992
Rwork	0.196
R-free	0.25730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3m8s
RMSD bond length	0.008
RMSD bond angle	0.958
Data reduction software	XDS
Refinement software	PHENIX ((1.12rc1_2815: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.349	2.120
High resolution limit [Å]	2.000	2.000
Rmeas	0.098	1.878
Number of reflections	81385	13040
<I/σ(I)>	10.71	0.94
Completeness [%]	99.3	98.4
Redundancy	5.2	5.1
CC(1/2)	0.999	0.260

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	22% PEG3350 + 0.1M Mg(OAc)2 + 0.1M HEPES pH 7.5