9CIQ

Crystal structure of human polymerase eta with incoming threofuranosyl thymine nucleoside triphosphate opposite template dA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-04
Detector	MAR CCD 300 mm
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	99.478, 99.478, 81.218
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.080 - 2.800
R-factor	0.1822
Rwork	0.178
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.425
Data reduction software	HKL-2000 (v721.2)
Data scaling software	HKL-2000 (v721.2)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rpim	0.056	0.409
Number of reflections	11361	1122
<I/σ(I)>	15	1.75
Completeness [%]	99.7	100
Redundancy	5.7	5.7
CC(1/2)	0.990	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1 M MES pH 5.6, 5mM Calcium chloride, 18% PEG 2000 MME