5W6Q

Structural basis for recognition of artificial DNA by an evolved KlenTaq variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	199.282, 114.611, 90.516
Unit cell angles	90.00, 91.88, 90.00

Refinement procedure

Resolution	49.132 - 2.660
R-factor	0.2131
Rwork	0.211
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sz2
RMSD bond length	0.002
RMSD bond angle	0.703
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.132	99.339	2.810
High resolution limit [Å]	2.662	8.420	2.660
Rmerge		0.021	0.452
Rmeas	0.118	0.028	0.599
Rpim	0.063	0.015	0.349
Total number of observations	194839	6693	22121
Number of reflections	57623
<I/σ(I)>	11.8	35.4	2.2
Completeness [%]	98.8	96.8	97.8
Redundancy	3.4	3.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277.15	14 % PEG 8000, 0.2 M Mg formate, 0.1 M MES pH 6.0