4ELT

Snapshot of the large fragment of DNA polymerase I from Thermus Aquaticus processing modified pyrimidines

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	2010-05-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	108.860, 108.860, 91.004
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.138 - 2.200
R-factor	0.1627
Rwork	0.160
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ojs
RMSD bond length	0.007
RMSD bond angle	1.129
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.7.2_869)
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.190	2.190
Rmerge		0.802
Number of reflections	32014
<I/σ(I)>		2.06
Completeness [%]	98.5	90.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	50 mM Na cacodylate pH=6.5, 0.2 M NH4(OAc), 10 mM Mg(OAc)2, 28% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 291K