8SCS

Bst DNA polymerase I Large Fragment wildtype D598A with 3'-amino primer, dGTP, and calcium time-resolved 8h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	99
Detector technology	PIXEL
Collection date	2021-07-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033175
Spacegroup name	P 21 21 21
Unit cell lengths	93.623, 108.676, 149.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.240 - 2.100
R-factor	0.1921
Rwork	0.190
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.505
Rmeas	0.095	0.553
Rpim	0.038	0.223
Number of reflections	89558	4432
<I/σ(I)>	19.4	3.8
Completeness [%]	99.7	100
Redundancy	6.2	5.9
CC(1/2)	0.992	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2M ammonium sulphate, 0.1M MES pH 5.3-6.0, 20 mM CaCl2, 5% MPD