3RAQ

Dpo4 extension ternary complex with 3'-terminal primer C base opposite the 1-methylguanine (MG1) lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Detector technology	CCD
Collection date	2006-07-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	52.194, 62.077, 91.459
Unit cell angles	98.97, 103.82, 93.72

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.19589
Rwork	0.194
R-free	0.23505
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gij
RMSD bond length	0.008
RMSD bond angle	1.420
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.107
Number of reflections	51859
<I/σ(I)>		2
Completeness [%]	98.4	96.8
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM HEPES, pH 7.0, 100 mM calcium acetate and 10% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K