6XIU

ETEC Rns bound to a potential inhibitor, decanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979351
Spacegroup name	P 21 21 21
Unit cell lengths	48.240, 95.150, 133.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.390 - 3.000
R-factor	0.2611
Rwork	0.257
R-free	0.30170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet-Rns
RMSD bond length	0.012
RMSD bond angle	1.358
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.390	3.107
High resolution limit [Å]	2.999	3.000
Number of reflections	12803	1219
<I/σ(I)>	7.29
Completeness [%]	99.2
Redundancy	6.4
CC(1/2)	0.997	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M succinnic acid, 14% PEG 3350, 0.03 M glycyl-glycyl-gylcine