6UR4

DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template and 3'-amino primer

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	2018-12-14
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	87.608, 93.916, 106.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.400 - 2.250
R-factor	0.2073
Rwork	0.205
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dsi
RMSD bond length	0.013
RMSD bond angle	1.818
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	0.141	0.574
Rmeas	0.153	0.628
Rpim	0.057	0.245
Number of reflections	40025	3455
<I/σ(I)>	15.1	6.8
Completeness [%]	94.4	83.2
Redundancy	7	6
CC(1/2)	0.978	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1 M Malonic acid, 0.15 M Ammonium citrate tribasic, 0.07 M Succinic acid, 0.18 M DL-Malic acid, 0.24 M Sodium acetate trihydrate, 0.3 M Sodium formate, 0.1 M Ammonium tartrate dibasic, pH 7.0