7MHW

Crystal structure of the protease inhibitor U-Omp19 from Brucella abortus fused to Maltose-binding protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	I 41 2 2
Unit cell lengths	141.670, 141.670, 132.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 2.550
R-factor	0.2083
Rwork	0.207
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lls
RMSD bond length	0.003
RMSD bond angle	0.639
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	2.660
High resolution limit [Å]	2.550	2.550
Rmeas	0.108	1.928
Rpim	0.030	0.575
Number of reflections	22227	2675
<I/σ(I)>	16.2	1.3
Completeness [%]	100.0	100
Redundancy	12.9	11.1
CC(1/2)	0.999	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	2.4 M ammonium sulfate, 0.1 M sodium citrate