8ES6

Crystal structure of an unusual amidase ClbL from colibactin gene cluster

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	277
Detector technology	CCD
Collection date	2019-10-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	103.924, 56.372, 145.019
Unit cell angles	90.00, 91.84, 90.00

Refinement procedure

Resolution	49.550 - 1.900
R-factor	0.2079
Rwork	0.206
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5h6s
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.550	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.126
Number of reflections	66681	6614
<I/σ(I)>	10.74
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.996	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris, pH 8.5, 30% PEG3500