1JFI

Crystal Structure of the NC2-TBP-DNA Ternary Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-02
Detector	SBC-2
Spacegroup name	C 2 2 21
Unit cell lengths	76.684, 119.075, 155.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 2.620
R-factor	0.236
Rwork	0.233
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cdw
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.710
High resolution limit [Å]	2.620	2.620
Rmerge	0.058	0.312
Total number of observations	562756 *
Number of reflections	21406
<I/σ(I)>	19.6
Completeness [%]	98.4	91.6
Redundancy	6.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	20 *	PEG 4000, sodium citrate, potassium chloride, magnesium chloride, DTT, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 4000
2	1	1	sodium citrate
3	1	1	KCl
4	1	1	MgCl2
5	1	1	DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.5 (mM)
2	1	reservoir		100 (mM)
3	1	reservoir		100 (mM)
4	1	reservoir		20 (mM)
5	1	reservoir	dithiothreitol	10 (mM)
6	1	reservoir	PEG4000	20 (%(w/v))