5KNN

Evolutionary gain of alanine mischarging to non-cognate tRNAs with a G4:U69 base pair

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1271
Spacegroup name	P 1
Unit cell lengths	52.167, 98.260, 201.385
Unit cell angles	90.07, 89.95, 90.11

Refinement procedure

Resolution	49.130 - 2.680
R-factor	0.2179
Rwork	0.216
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hxu
RMSD bond length	0.016
RMSD bond angle	1.996
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.730
High resolution limit [Å]	2.680	7.270	2.680
Rmerge	0.142	0.081	0.408
Number of reflections	100341
<I/σ(I)>	5.5
Completeness [%]	99.2	97	88.7
Redundancy	6.9	6	6.8
CC(1/2)		0.992	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M Hepes pH 7.5, 20% Polyethylene glycol 3350, 0.2 M MgCl2