6KBZ

Crystal structure of yedK with ssDNA containing a tetrahydrofuran abasic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	40.530, 111.391, 104.102
Unit cell angles	90.00, 96.14, 90.00

Refinement procedure

Resolution	36.265 - 1.653
R-factor	0.1617
Rwork	0.160
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kbs
RMSD bond length	0.006
RMSD bond angle	0.831
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.084	0.033	0.760
Rmeas	0.092	0.036	0.849
Rpim	0.036	0.013	0.371
Total number of observations	660240
Number of reflections	108392	10867	10777
<I/σ(I)>	5.6
Completeness [%]	99.0	97.8	98.4
Redundancy	6.1	6.8	4.8
CC(1/2)		0.999	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.02 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 22% w/v Poly(acrylic acid sodium salt) 5,100