6U6B

Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	53.430, 78.216, 53.965
Unit cell angles	90.00, 110.57, 90.00

Refinement procedure

Resolution	44.138 - 3.108
R-factor	0.2244
Rwork	0.222
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tus
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.16-3549-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.090	0.034	0.450
Rmeas	0.105	0.040	0.526
Rpim	0.054	0.020	0.270
Total number of observations	28127
Number of reflections	7557	400	383
<I/σ(I)>	7.1
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.6	3.8
CC(1/2)		0.998	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295.15	23% PEG 3350, 50 mM Tris (pH 6.5), and 350 mM sodium acetate