4F3O

DNA Polymerase I Large Fragment Complex 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Detector technology	CCD
Collection date	2012-03-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	93.830, 109.330, 150.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.565 - 1.570
R-factor	0.1803
Rwork	0.179
R-free	0.20360
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	0.010
RMSD bond angle	1.357
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]	100.000	100.000	1.660
High resolution limit [Å]	1.570	4.690	1.570
Rmerge	0.048	0.027	0.462
Number of reflections	199455	8483	32723
<I/σ(I)>	26.3	69.29	3.75
Completeness [%]	92.9	99.6	99.9
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	49%-51% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MnSO4, 100mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K