4XNR

Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	49.482, 154.682, 25.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 2.210
R-factor	0.21
Rwork	0.200
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tzx
RMSD bond length	0.001
RMSD bond angle	0.274
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.061	1.040
Number of reflections	10358
<I/σ(I)>	16.92	1.67
Completeness [%]	100.0	99
Redundancy	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	Mg, PEG, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K