7MPU

Brucella melitensis NrnC bound to pGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 41 2 2
Unit cell lengths	170.922, 170.922, 85.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.050 - 1.720
R-factor	0.1559
Rwork	0.155
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.050	1.780
High resolution limit [Å]	1.718	1.718
Number of reflections	66925	6617
<I/σ(I)>	22.49	3.04
Completeness [%]	99.9	99.43
Redundancy	16.4
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1 M HEPES; 2.0 M Amonium sulfate; 20 % xylitol