9BZB

Crystal structure of metallo-hydrolase-like_MBL-fold protein from Salmonella typhimurium LT2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-28
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 62
Unit cell lengths	120.831, 120.831, 35.339
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.550 - 1.950
R-factor	0.1987
Rwork	0.197
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.138	0.837
Rmeas	0.147	0.990
Rpim	0.048	0.518
Number of reflections	21268	803
<I/σ(I)>	20.4	0.92
Completeness [%]	97.7	75.4
Redundancy	7.7	2.6
CC(1/2)		0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	50 mM Tris pH 7.6. 2.9 % (v/v) PEG350 MME, 34.3 % (v/v) PEG 600