6US5

DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template, 3'-amino primer, dGpNHpp analog, and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	99
Detector technology	CCD
Collection date	2019-09-25
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	93.761, 108.805, 149.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.060 - 2.250
R-factor	0.2269
Rwork	0.224
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5u
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.125	0.605
Rmeas	0.147	0.717
Rpim	0.076	0.379
Number of reflections	72498	6573
<I/σ(I)>	10	2.67
Completeness [%]	98.4	90.4
Redundancy	3.6	3.3
CC(1/2)	0.966	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	291	0.1 M MES, pH 5.4, 2M ammonium sulfate, 10 mM MnSO4, 5 % MPD