4HNO

High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1999-07-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.78
Spacegroup name	P 61
Unit cell lengths	123.370, 123.370, 35.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.511 - 0.919
R-factor	0.1255
Rwork	0.125
R-free	0.13900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qtw
RMSD bond length	0.017
RMSD bond angle	1.311
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	0.950
High resolution limit [Å]	0.919	2.110	0.919
Rmerge		0.044	0.420
Number of reflections	204938
<I/σ(I)>	10.8
Completeness [%]	95.9	96.6	88.6
Redundancy	2.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	100 mM Tris-HCl pH 9.0, 4 mM DTT, 1.5% saturated MgSO4, 16% ethylene glycol, 20% mPEG2K, VAPOR DIFFUSION, HANGING DROP, temperature 298K