4X4R

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

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	2012-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 2
Unit cell lengths	111.100, 217.368, 58.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.906 - 3.202
R-factor	0.2116
Rwork	0.209
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.684
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]	30.000	30.000	3.260
High resolution limit [Å]	3.200	8.620	3.200
Rmerge	0.161	0.097	0.380
Total number of observations	84436
Number of reflections	24077
<I/σ(I)>	4.6
Completeness [%]	99.7	99.6	99.8
Redundancy	3.5	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	290	24% PEG3350, 0.2M NaK tartrate, 0.1M MES 6.8