4F2R

DNA Polymerase I Large Fragment complex 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Detector technology	CCD
Collection date	2011-10-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	93.220, 108.480, 150.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.980 - 1.630
R-factor	0.1708
Rwork	0.170
R-free	0.19240
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2HVI WITH INSERTION SITE BASE PAIR METAL IONS AND PROTEIN RESIDUES 681-721 DELETED
RMSD bond length	0.011
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_1026)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.630	4.870	1.630
Rmerge	0.063	0.036	0.506
Number of reflections	190429	7543	30817
<I/σ(I)>	20.25	50.81	3.38
Completeness [%]	100.0	99.6	99.8
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	47%-49% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MgSO4, 100mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K