8VLC

Crystal structure of Zn-dependent hydrolase 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)	0.979
Spacegroup name	P 62
Unit cell lengths	121.002, 121.002, 35.367
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.610 - 1.800
R-factor	0.1899
Rwork	0.189
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.829
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.133	0.048	0.834
Rmeas	0.137	0.049	0.929
Rpim	0.033	0.011	0.388
Total number of observations	418261
Number of reflections	27989	1484	1361
<I/σ(I)>	7.5
Completeness [%]	99.9	99.9	98.8
Redundancy	14.9	18.7	4.4
CC(1/2)	0.999	0.999	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PEGMME 350, Tris-Cl,. PEG600