398D

3'-DNA-RNA-5' JUNCTION FORMED DURING INITIATION OF MINUS-STRAND SYNTHESIS OF HIV REPLICATION

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-28
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	42.740, 44.150, 51.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.940
R-factor	0.22
Rwork	0.220
R-free	0.29100
Starting model (for MR)	CANONICAL A-RNA MODEL OF IDENTICAL SIZE AND SEQUENCE
RMSD bond length	0.012
RMSD bond angle	1.701
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.075	0.416
Number of reflections	7612
<I/σ(I)>	7.4	2.2
Completeness [%]	99.2	93.1
Redundancy	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	20 *	pH 7.00, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	7	20 *	pH 7.00, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	KCL
3	1	1	SPERMINE
4	1	1	SODIUM CACODYLATE
5	1	1	MPD
6	1	2	WATER
7	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	hybrid duplex	0.25 (mM)
2	1	drop	sodium cacodylate	20 (mM)
3	1	drop	spermine tetrahydrochloride	6 (mM)
4	1	drop		10 (mM)
5	1	drop		5 (%)
6	1	reservoir	MPD	35 (%)