1NTB

2.9 A crystal structure of Streptomycin RNA-aptamer complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 4
Unit cell lengths	82.634, 82.634, 49.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.900
R-factor	0.20847
Rwork	0.204
R-free	0.25500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Barium form of streptomycin RNA-aptamer
RMSD bond length	0.010
RMSD bond angle	1.750 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.950
High resolution limit [Å]	2.900 *	2.900 *
Rmerge	0.057 *	0.320 *
Number of reflections	3774 *	371 *
Completeness [%]	99.9 *	100 *
Redundancy	5.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	20 *	MES buffer, Magnesium cloride, sodium cloride, MPD, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MES buffer
2	1	1	MgCl2
3	1	1	NaCl
4	1	1	MPD
5	1	2	MgCl2
6	1	2	NaCl
7	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	RNA	0.24 (mM)
10	1	reservoir		75 (mM)
11	1	reservoir		65 (mM)
2	1	drop	MES	17 (mM)	pH5.6
3	1	drop		12.5 (mM)
4	1	drop		25 (mM)
5	1	drop		65 (mM)
6	1	drop	MPD	6 (%)
7	1	reservoir		17.5 (%)
8	1	reservoir	MES	50 (mM)	pH5.6
9	1	reservoir		25 (mM)