6D6K

Structure of polyribonucleotide nucleotidyltransferase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 63
Unit cell lengths	93.690, 93.690, 266.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.435 - 2.500
R-factor	0.1592
Rwork	0.157
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gme per morda
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3092))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.435	44.435	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.071	0.023	0.505
Rmeas	0.078	0.025	0.551
Number of reflections	45569	510	3355
<I/σ(I)>	20.53	50.27	4.29
Completeness [%]	99.8	92.9	99.8
Redundancy	6.445	6.059	6.486
CC(1/2)	0.999	1.000	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	Microlytic MCSG1 screen, C9: 32% PEG 4000, 800mM LiCl, 100mM Tris Base / HCl: AcbaC.17868.b.B1.PS38264 at 20.7mg/ml: cryo: direct: tray 292329c9: puck vqb8-4