1A41

TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	120
Detector technology	CCD
Collection date	1997-07
Detector	ADSC
Spacegroup name	P 41 21 2
Unit cell lengths	81.700, 81.700, 84.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.227
Rwork	0.227
R-free	0.30900
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.908
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.049 *	0.224 *
Total number of observations	114536 *
Number of reflections	13123
Completeness [%]	96.1	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6	20 *	pH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	23 (mg/ml)
2	1	reservoir	sodium citrate	100 (mM)
3	1	reservoir	ammonium sulfate	59 (%)
4	1	reservoir	dithiothreitol	4 (mM)