3NO0

Aquifex aeolicus type IIA topoisomerase C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	43.513, 49.624, 120.350
Unit cell angles	91.57, 99.75, 113.48

Refinement procedure

Resolution	40.851 - 1.300
R-factor	0.1734
Rwork	0.172
R-free	0.18940
Structure solution method	MIRAS
RMSD bond length	0.014
RMSD bond angle	1.501
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.851	1.315
High resolution limit [Å]	1.300	1.300
Rmerge	0.031	0.357
Number of reflections	208073
<I/σ(I)>	28.2	2.4
Completeness [%]	93.6	84.8
Redundancy	3.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	50 mM NaCL, 10mM Tris-HCl pH 7.5, 225 mM NH4NO3, 20% PEG 3500, VAPOR DIFFUSION, HANGING DROP, temperature 291K