1Y26

A-riboswitch-adenine complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-20
Detector	MARRESEARCH
Wavelength(s)	1.15
Spacegroup name	P 21 21 2
Unit cell lengths	49.655, 155.036, 25.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.23445
Rwork	0.231
R-free	0.29733
Structure solution method	SIRAS
RMSD bond length	0.016
RMSD bond angle	1.790
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.069
Number of reflections	11832
Completeness [%]	97.8	0.934
Redundancy	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	Mg, PEG, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	8	277	Mg, PEG, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MgCl2, PEG
2	1	2	MgCl2, PEG