397D

A 1.3 A RESOLUTION CRYSTAL STRUCTURE OF THE HIV-1 TRANS-ACTIVATION RESPONSE REGION RNA STEM REVEALS A METAL ION-DEPENDENT BULGE CONFORMATION

Experimental procedure

Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-05-01
Detector	PRINCETON 2K
Spacegroup name	P 1
Unit cell lengths	27.100, 27.100, 31.600
Unit cell angles	69.20, 77.50, 63.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.126
R-free	0.17700
RMSD bond length	0.009
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.300
Rmerge	0.060	0.267 *
Number of reflections	17465
Completeness [%]	95.0	91.8 *
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	19 *	pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 292.00K
1	VAPOR DIFFUSION, HANGING DROP	6	19 *	pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 292.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
10	1	3	ETHYLENE GLYCOL
2	1	1	MGCL2
3	1	1	NA-CACODYLATE
4	1	1	NH4CL
5	1	1	CACL2
6	1	2	WATER
7	1	2	NH4CL
8	1	2	CACL2
9	1	2	PRECIPITATING BUFFER

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein solution	1 (mM)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir		200 (mM)
4	1	reservoir		100 (mM)
5	1	reservoir	sodium cacodylate	50 (mM)	pH6.0