4X4V

Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a human MenBeta 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	2013-03-07
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 - 2.600
R-factor	0.1868
Rwork	0.184
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.989
Data reduction software	HKL-2000
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	2.640
High resolution limit [Å]	2.600	7.030	2.600
Rmerge	0.093	0.040	0.384
Total number of observations	143132
Number of reflections	43940
<I/σ(I)>	7.1
Completeness [%]	98.5	96.2	90.9
Redundancy	3.3	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	290	23.2% PEG3350, 0.2M NaK tartrate, 0.1M MES pH 6.8