1NTA

2.9 A crystal structure of Streptomycin RNA-aptamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 4
Unit cell lengths	83.097, 83.097, 49.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.900
R-factor	0.22788
Rwork	0.222
R-free	0.28200 *
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.780 *
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	0.064 *	0.380 *
Number of reflections	3813 *	373 *
Completeness [%]	99.8 *	99.5 *
Redundancy	9.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	20 *	MES buffer, barium cloride, 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	BaCl2
3	1	1	MgCl2
4	1	1	NaCl
5	1	1	MPD
6	1	2	BaCl2
7	1	2	MgCl2
8	1	2	NaCl
9	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	MPD	17.5 (%)
8	1	reservoir	MES	50 (mM)	pH5.6
9	1	reservoir		25 (mM)