8SCI

Bst DNA polymerase I Large Fragment mutant F710Y/D598A with 3'-amino primer, dGTP, and calcium time-resolved 1h

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	2020-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	93.163, 108.541, 148.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.810 - 2.670
R-factor	0.1876
Rwork	0.184
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.956
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	2.730
High resolution limit [Å]	2.670	2.670
Rmerge	0.108	0.463
Rmeas	0.116	0.499
Rpim	0.044	0.184
Number of reflections	43114	2134
<I/σ(I)>	16.4	5.5
Completeness [%]	99.6	100
Redundancy	7.2	7.3
CC(1/2)	0.985	0.931

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