4E0D

Binary complex of Bacillus DNA Polymerase I Large Fragment E658A and duplex DNA

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	2011-01-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	87.860, 93.780, 104.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.703 - 1.580
R-factor	0.1621
Rwork	0.161
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4DQQ chains A B and C
RMSD bond length	0.010
RMSD bond angle	1.335
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1026)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.670
High resolution limit [Å]	1.580	4.730	1.580
Rmerge	0.059	0.026	0.476
Number of reflections	117529
<I/σ(I)>	24.7	68.54	4.33
Completeness [%]	98.8	99.7	98.9
Redundancy	10

Crystallization Conditions

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