9NZD

Crystal structure of AfNth1-K122A mutant bound to Tg-DNA duplex complex in an intermediate state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2004-12-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.00
Spacegroup name	P 41 21 2
Unit cell lengths	110.247, 110.247, 112.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.980 - 3.100
R-factor	0.2163
Rwork	0.214
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.708
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.980	3.320
High resolution limit [Å]	3.100	3.100
Rmerge	0.075	1.306
Number of reflections	13134	2321
<I/σ(I)>	17.2
Completeness [%]	99.8	99.5
Redundancy	6.2	6.3
CC(1/2)	0.997	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20-30% PEG8000, 100 mM imidazole/malonate, pH 4.5-5.5, 5 mM DTT, 10% glycerol