4EBD

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	97.776, 97.776, 202.739
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.888 - 2.571
R-factor	0.212
Rwork	0.206
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gv5
RMSD bond length	0.017
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.676	2.640
High resolution limit [Å]	2.570	2.570
Rmerge	0.027	0.409
Number of reflections	18978
<I/σ(I)>	51.5	5.3
Completeness [%]	96.9	92.3
Redundancy	6.4	5.7

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