1VUB

CCDB, A TOPOISOMERASE POISON FROM E. COLI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	300
Detector technology	IMAGE PLATE
Collection date	1993-08
Detector	MARRESEARCH
Spacegroup name	P 42 21 2
Unit cell lengths	104.520, 104.520, 88.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.199
Rwork	0.199
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PRELIMINARY MIR MODEL IN DIFFERENT CRYSTAL FORM
RMSD bond length	0.010
RMSD bond angle	26.198 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((ROTAVATA))
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.098 *	0.333 *
Total number of observations	101106 *
Number of reflections	14825 *
<I/σ(I)>	22.2	2.89
Completeness [%]	93.0	77.6
Redundancy	6.82	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		Dao-Thi, M.H., (1997) Acta Crystallog. sect D., 54, 975. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.0-12.0 (mg/ml)
2	1	drop	ammonium sulfate	0.8-2.0 (M)
3	1	drop	agarose	0-2 (%)