6DSX

Bst DNA polymerase I post-chemistry (n+1 with dATP soak) structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	87.116, 93.576, 105.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.788 - 1.990
R-factor	0.1857
Rwork	0.184
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l3u
RMSD bond length	0.008
RMSD bond angle	0.834
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.790	2.061
High resolution limit [Å]	1.990	1.990
Rmerge	0.132	0.719
Number of reflections	59689	5857
<I/σ(I)>	17.03
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.993	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50% ammonium sulfate, 0.1M MES, 2% MPD