462D

CRYSTAL STRUCTURE OF THE HIV-1 GENOMIC RNA DIMERIZATION INITIATION SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE D2AM
Synchrotron site	ESRF
Beamline	D2AM
Temperature [K]	120
Detector technology	CCD
Collection date	1998-02-25
Detector	CUSTOM-MADE
Wavelength(s)	1.020, 1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	59.100, 59.100, 64.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.211
Rwork	0.211
R-free	0.21200
Structure solution method	MIRAS
RMSD bond length	0.008
RMSD bond angle	8.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.380
High resolution limit [Å]	2.250 *	2.300
Rmerge	0.069	0.135
Number of reflections	5842
Completeness [%]	97.9	98.3
Redundancy	6.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	37 *	DROP: CACODYLATE 25MM PH 7.0, MGCL2 5MM, KCL 150MM, MPD 1%, SPERMINE 5MM; RESERVOIR: CACODYLATE 50MM PH 7.0, MGCL2 100MM, KCL 300MM, MPD 50%, VAPOR DIFFUSION, SITTING DROP, temperature 310K
1	Vapor diffusion *	7	37 *	DROP: CACODYLATE 25MM PH 7.0, MGCL2 5MM, KCL 150MM, MPD 1%, SPERMINE 5MM; RESERVOIR: CACODYLATE 50MM PH 7.0, MGCL2 100MM, KCL 300MM, MPD 50%, VAPOR DIFFUSION, SITTING DROP, temperature 310K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	CACODYLATE
2	1	1	MGCL2
3	1	1	KCL
4	1	1	MPD
5	1	1	SPERMINE
6	1	2	CACODYLATE
7	1	2	MGCL2
8	1	2	KCL
9	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	RNA	4 (mg/ml)
10	1	reservoir		100 (mM)
2	1	drop		150 (mM)
3	1	drop	Na cacodylate	20 (mM)
4	1	drop		5 (mM)
5	1	drop	MPD	10 (%)
6	1	drop	spermine	50 (mM)
7	1	reservoir	MPD	50 (%)
8	1	reservoir		300 (mM)
9	1	reservoir	Na cacodylate	50 (mM)