5JG7

Crystal structure of putative periplasmic binding 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	2016-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	44.057, 84.582, 91.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.984 - 1.700
R-factor	0.174
Rwork	0.172
R-free	0.21330
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.734
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (dev_2328)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.030	0.023	0.320
Rmeas	0.033	0.025	0.358
Rpim	0.014	0.010	0.157
Total number of observations	199870
Number of reflections	37084
<I/σ(I)>	11.3
Completeness [%]	96.8	98.5	82.8
Redundancy	5.4	5.7	4.5
CC(1/2)		0.995	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.2 M proline, 0.1 M HEPES, 10% w/v PEG3350