6GOS

E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	180.960, 83.400, 86.900
Unit cell angles	90.00, 91.45, 90.00

Refinement procedure

Resolution	57.390 - 2.100
R-factor	0.174
Rwork	0.172
R-free	0.21200
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	CRANK2
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.390	57.390	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.153	0.048	1.489
Rmeas	0.161	0.050	1.568
Rpim	0.049	0.016	0.485
Total number of observations	800263
Number of reflections	75405	895	5495
<I/σ(I)>	10.7
Completeness [%]	99.8	99.5	98.4
Redundancy	10.6	9.7	10.2
CC(1/2)	0.998	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NULL