4DLG

Ternary Structure of the large Fragment of Taq DNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.23
Spacegroup name	P 31 2 1
Unit cell lengths	107.784, 107.784, 89.554
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.672 - 1.890
R-factor	0.2159
Rwork	0.214
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ktq
RMSD bond length	0.005
RMSD bond angle	0.628
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.890	1.890
Rmerge		0.146
Number of reflections	47964
<I/σ(I)>		1.13
Completeness [%]	99.6	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	50 mM Na cacodylate, 0.2 M NH4(OAc), 10 mM Mg(OAc)2, 15% PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K