4X4O

Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix 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	2013-10-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 2
Unit cell lengths	111.059, 215.602, 58.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 3.201
R-factor	0.2116
Rwork	0.209
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.755
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.791	29.791	3.370
High resolution limit [Å]	3.201	10.120	3.200
Rmerge		0.043	0.483
Rmeas	0.139
Rpim	0.075	0.030	0.313
Total number of observations	75872	2352	10887
Number of reflections	23753
<I/σ(I)>	8.4	21	2.5
Completeness [%]	99.2	95.2	98.7
Redundancy	3.2	2.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	290	18.6% PEG 3,350, 0.2M potassium sodium tartrate, 0.1M Sodium Acetate pH 5.6