3M7D

Crystal structure of an N-terminal 44 kDA fragment of topoisomerase V in the presence of dioxane

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	78
Detector technology	CCD
Collection date	2005-10-12
Detector	RAYONIX MX-225
Wavelength(s)	0.96500
Spacegroup name	C 1 2 1
Unit cell lengths	104.150, 47.740, 81.223
Unit cell angles	90.00, 112.48, 90.00

Refinement procedure

Resolution	28.056 - 1.815
R-factor	0.1771
Rwork	0.175
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	N-terminal 31 kDa topoisomerase domain of Topo-61 (2CSB) structure
RMSD bond length	0.006
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.050	1.910
High resolution limit [Å]	1.815	1.815
Rmerge	0.046	0.194
Number of reflections	32998
<I/σ(I)>	23	6.8
Completeness [%]	98.3	88.6
Redundancy	4.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	303	0.1M phospate citrate pH 5, 0.2 M NaCl, 15% PEG 3350, 8% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 303K