4EBE

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	98.233, 98.233, 202.067
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.173 - 2.100
R-factor	0.2222
Rwork	0.220
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gv5
RMSD bond length	0.011
RMSD bond angle	1.407
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]	85.072	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.054	0.617
Number of reflections	34416
<I/σ(I)>	24.5	1.6
Completeness [%]	93.3	86
Redundancy	5.3	5.2

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, 10% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K