4X4S

Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix ending in CCACC and CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 2
Unit cell lengths	111.343, 216.450, 58.447
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.669 - 3.250
R-factor	0.2229
Rwork	0.220
R-free	0.27580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.687
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.250	8.810	3.250
Rmerge	0.106	0.038	0.393
Total number of observations	81126
Number of reflections	23129
<I/σ(I)>	6.1
Completeness [%]	98.4	93	99
Redundancy	3.5	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	22.3% PEG3350, 0.25M NaK tartrate