6KSF

Crystal Structure of ALKBH1 bound to 21-mer DNA bulge

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	67.482, 67.482, 263.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.888 - 2.400
R-factor	0.2302
Rwork	0.228
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6imc
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.079	0.047	0.716
Rmeas	0.084	0.051	0.756
Rpim	0.027	0.018	0.236
Total number of observations	202846
Number of reflections	24642	1410	1183
<I/σ(I)>	7.1
Completeness [%]	98.8	97.1	97.8
Redundancy	8.2	7.3	8.6
CC(1/2)		0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.2 M NaCl, 0.1 M phosphate citrate, pH 4.2,10% PEG3000