1DDN

DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	277
Detector technology	CCD
Collection date	1996-02-15
Detector	BRANDEIS
Spacegroup name	P 41
Unit cell lengths	117.050, 117.050, 145.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 3.000
R-factor	0.24 *
Rwork	0.240
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dpr
RMSD bond length	0.015
RMSD bond angle	22.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.000
Rmerge	0.096
Total number of observations	107910 *
Number of reflections	34176 *
<I/σ(I)>	7.6
Completeness [%]	87.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein-DNA mixture	15 (mg/ml)
2	1	drop	Tris-HCl	100 (mM)
3	1	reservoir	PEG4000	6-12 (%)
4	1	reservoir		10 (mM)
5	1	reservoir	MES	100 (mM)