6UR9

DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template, dideoxy primer, 3'-amino-ddGTP (nGTP), and Ca2+

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	93.629, 108.069, 149.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.810 - 2.100
R-factor	0.2065
Rwork	0.204
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5u
RMSD bond length	0.003
RMSD bond angle	0.557
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	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.082	0.462
Rmeas	0.088	0.497
Rpim	0.032	0.184
Number of reflections	89397	8849
<I/σ(I)>	23.4	3.55
Completeness [%]	100.0	100
Redundancy	7.3	7.3
CC(1/2)	0.995	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	291	0.1 M MES, pH 5.4, 2M ammonium sulfate, 10 mM CaCl2, 2.5 % MPD, crystal soaked with 10 mM CaCl2 pH 8.8 buffer for 20 min