6FBI

KlenTaq DNA polymerase in a closed, ternary complex with dGpNHpp bound in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	P 31 2 1
Unit cell lengths	109.770, 109.770, 91.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.532 - 1.900
R-factor	0.2086
Rwork	0.207
R-free	0.23520
RMSD bond length	0.004
RMSD bond angle	0.713
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12rc1_2815: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.532	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.120	2.445
Number of reflections	97132	7175
<I/σ(I)>	14.61	1.3
Completeness [%]	100.0	99.9
Redundancy	14.95	14.58

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	(A) 16 % PEG 4000, 0.1 M sodium acetate, 20 mM manganese(II) chloride, 0.1 M MES (B) 17 % PEG 4000, 0.1 M ammonium acetate, 0.1 M HEPES, 20 mM manganese(II) chloride (C) 15 % PEG 4000, 0.1 M sodium acetate, 20 mM manganese(II) chloride, 0.1 M MES