4FBT

Dpo4 post-insertion complex with the N-(deoxyguanosin-8-yl)-1-aminopyrene lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 61
Unit cell lengths	56.226, 56.226, 290.602
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.980 - 2.000
R-factor	0.192
Rwork	0.191
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.322
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	27.982
High resolution limit [Å]	2.000
Number of reflections	34772
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	0.2 M Ca(Ac)2, 0.1 M Hepes 7.0, 15 % PEG 3350, 2.5 % glycerol, VAPOR DIFFUSION, temperature 298K