7MPR

Brucella melitensis NrnC

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	93.320, 93.320, 123.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.560 - 1.420
Rwork	0.165
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yt3
RMSD bond length	0.004
RMSD bond angle	0.718
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.560	1.471
High resolution limit [Å]	1.420	1.420
Number of reflections	103308	10058
<I/σ(I)>	30.58	1.91
Completeness [%]	99.8	98.78
Redundancy	15.3	10.9
CC(1/2)	1.000	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	0.1 M HEPES, 2.0 M Ammonium Sulfate, 19 % xylitol