7TL5

Crystal structure of putative hydrolase yjcS from Klebsiella pneumoniae.

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	2018-07-05
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	76.453, 80.159, 243.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.660 - 2.690
R-factor	0.211
Rwork	0.209
R-free	0.24800
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.690	7.320	2.700
Rmerge	0.064	0.034	1.008
Rmeas	0.070	0.037	1.114
Rpim	0.029	0.015	0.464
Number of reflections	38419	2269	1662
<I/σ(I)>	10.6
Completeness [%]	90.4	97.3	79.4
Redundancy	5.1	5.8	4.9
CC(1/2)		0.996	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	0.5M Magnesium Formate, 0.1M Bis-Tris