7MPT

Brucella melitensis NrnC with bound Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 4 2 2
Unit cell lengths	93.314, 93.314, 123.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.980 - 1.750
Rwork	0.169
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.005
RMSD bond angle	0.761
Data reduction software	XDS
Data scaling software	Aimless (3.3.22)
Phasing software	PHENIX
Refinement software	PHENIX (1.18rc6_3830)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.980	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	55765	5452
<I/σ(I)>	26.42	2.03
Completeness [%]	99.8	99.27
Redundancy	15.9	15
CC(1/2)	0.999	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.06 M sodium-potassium-monophosphate monohydrate, 1.2 M potassium phosphate dibasic, 20 % xylitol