5J63

Crystal Structure of the N-terminal N-formyltransferase Domain (residues 1-306) of Escherichia coli Arna in Complex with UDP-Ara4N and Folinic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.99768
Spacegroup name	P 1
Unit cell lengths	75.994, 76.206, 84.852
Unit cell angles	89.94, 63.78, 61.54

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.21571
Rwork	0.212
R-free	0.28404
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bln
RMSD bond length	0.013
RMSD bond angle	1.685
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.550
High resolution limit [Å]	2.500	2.500
Rmerge	0.056	0.144
Number of reflections	45712
<I/σ(I)>	28.5	11.8
Completeness [%]	91.3	88.7
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	20 to 22% poly(ethylene glycol) 5000, 50 mM MgCl2, 5 mM N5-formyltetrahydrofolate, 10 mM UDP-Ara4N, and 100 mM HEPPS (pH 8.0)