4EBC

Conformationally Restrained North-methanocarba-2'-deoxyadenosine Corrects the Error-Prone Nature of Human DNA Polymerase Iota

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	110
Detector technology	CCD
Collection date	2011-12-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	97.797, 97.797, 203.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.899 - 2.901
R-factor	0.211
Rwork	0.206
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gv5
RMSD bond length	0.017
RMSD bond angle	1.492
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (AUTOMR)
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.695	3.000
High resolution limit [Å]	2.901	2.901
Rmerge	0.045	0.657
Number of reflections	12777
<I/σ(I)>	24.6	1.9
Completeness [%]	95.1	86
Redundancy	7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	277	20 mM Tris-HCl, pH 7.9, 5% glycerol, 10 mM 2-mercaptoethanol, 150 mM calcium chloride, 12% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K