1N4L

A DNA analogue of the polypurine tract of HIV-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	108
Detector technology	CCD
Collection date	2002-02-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1123
Spacegroup name	P 21 21 2
Unit cell lengths	54.410, 146.222, 46.778
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.241
Rwork	0.240
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d1u
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.118 *
Number of reflections	23122
<I/σ(I)>		5.8
Completeness [%]	93.9 *	84.8 *
Redundancy		3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	PEG 4000, NaCl, ADA, MgCl2, HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 277K
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	PEG 4000, NaCl, ADA, MgCl2, HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	NaCl
10	1	2	PEG 4000
2	1	1	MgCl2
3	1	1	ADA
4	1	1	HEPES
5	1	1	PEG 4000
6	1	2	NaCl
7	1	2	MgCl2
8	1	2	ADA
9	1	2	HEPES

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.4 (mM)
2	1	drop	oligonucleotide	0.5 (mM)
3	1	reservoir	PEG4000	8 (%(w/v))
4	1	reservoir	ADA	0.05 (M)	pH6.5
5	1	reservoir	magnesium acetate	5.0 (mM)