3LWL

Structure of Klenow fragment of Taq polymerase in complex with an abasic 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	CCD
Collection date	2009-09-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	110.228, 110.228, 91.265
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.730 - 2.250
R-factor	0.1906
Rwork	0.188
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ktq
RMSD bond length	0.016
RMSD bond angle	0.929
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.6_289)
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.250	2.250
Rmerge	0.124	0.971
Number of reflections	30775
<I/σ(I)>	16.11	2.48
Completeness [%]	99.7	98.5
Redundancy	10.78	9.94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.05M sodium cacodylate, 0.2M ammonium acetate, 0.01M magnesium acetate, 30% PEG 8000, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K